CAS 30235-27-9|4-(pyridin-3-yl)-1,3-thiazol-2-amine|4-(3-pyridinyl)-1,3-thiazol-2-amine|4-(pyridin-3-yl)-1,3-thiazol-2-amine|2-Amino-4-(pyridin-3-yl)-1,3-thiazole|4-Pyridin-3-yl-thiazol-2-ylamine|4-...

Molecular Formula

C₈H₇N₃S

Molecular Mass

177.22628

Exact Mass

177.03606824

InChI

InChI=1S/C8H7N3S/c9-8-11-7(5-12-8)6-2-1-3-10-4-6/h1-5H,(H2,9,11)

InChIKey

XOHZQGAYUHOJPR-UHFFFAOYSA-N

Canonic Smiles

Nc1scc(n1)c1cccnc1

Isomeric Smiles

n1c(N)scc1c1cnccc1

JChem

Acid pKa

16.66182

H Acceptors

H Donor

LogD (pH = 5.5)

1.2698324

LogD (pH = 7.4)

1.3023362

Log P

1.302766

Molar Refractivity

48.0474

Polarizability

19.283823

Polar Surface Area

51.8

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

154893

IUPAC Traditional name

4-(pyridin-3-yl)-1,3-thiazol-2-amine

Synonyms

4-(3-pyridinyl)-1,3-thiazol-2-amine2-Amino-4-(pyridin-3-yl)-1,3-thiazole4-Pyridin-3-yl-thiazol-2-ylamine4-(pyridin-3-yl)thiazol-2-amine2-Amino-4-(3-pyridyl)thiazole2-AMINO-4-(3-PYRIDYL)THIAZOLE

IUPAC name

4-(pyridin-3-yl)-1,3-thiazol-2-amine

MDL Number

MFCD00218013

PubChem SID

162041323

CAS Number

30235-27-9

Safety Information

Storage Warning

Irritant

European Hazard Symbols

Irritant (Xi)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Risk Statements

36/37/38

Safety Statements

26-37-60

GHS Hazard statements

H315-H319-H335

TSCA Listed

否

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501

Physical Property

Partition Coefficient

0.855

Melting Point

190 - 192°C

Hydrophobicity(logP)

0.939

Product Information

Purity

95+%

95%

97%

98%

No Data Available

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Academic Data

PubChem

154893

IUPAC Traditional name

4-(pyridin-3-yl)-1,3-thiazol-2-amine

Synonyms

4-(3-pyridinyl)-1,3-thiazol-2-amine2-Amino-4-(pyridin-3-yl)-1,3-thiazole4-Pyridin-3-yl-thiazol-2-ylamine4-(pyridin-3-yl)thiazol-2-amine2-Amino-4-(3-pyridyl)thiazole2-AMINO-4-(3-PYRIDYL)THIAZOLE

IUPAC name

4-(pyridin-3-yl)-1,3-thiazol-2-amine

MDL Number

MFCD00218013

PubChem SID

162041323

CAS Number

30235-27-9

Safety Information

Storage Warning

Irritant

European Hazard Symbols

Irritant (Xi)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Risk Statements

36/37/38

Safety Statements

26-37-60

GHS Hazard statements

H315-H319-H335

TSCA Listed

否

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501

Physical Property

Partition Coefficient

0.855

Melting Point

190 - 192°C

Hydrophobicity(logP)

0.939

Product Information

Purity

95+%

95%

97%

98%

No Data Available

Click here to submit data

Molecule

ID:76418