CAS 887405-23-4|1-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methanamine|{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methanamine|{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methanamine|(3-Methylimidazo[2,1-...

General Information

Structure

Molecular Formula

C₇H₉N₃S

Molecular Mass

167.23146

Exact Mass

167.0517183

Charge

InChI

InChI=1S/C7H9N3S/c1-5-4-11-7-9-6(2-8)3-10(5)7/h3-4H,2,8H2,1H3

InChIKey

HTXJGKRRHXYDKG-UHFFFAOYSA-N

Canonic Smiles

Cc1csc2n1cc(n2)CN

Isomeric Smiles

c12n(cc(n1)CN)c(cs2)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.478324

LogD (pH = 7.4)

-0.8642746

Log P

0.2000524

Molar Refractivity

56.6133

Polarizability

17.108364

Polar Surface Area

43.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methanamine(3-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamine

IUPAC name

{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methanamine

IUPAC Traditional name

{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methanamine

Names and Identifiers

Registration numbers

MDL Number

PubChem SID

CAS Number

PubChem CID

Registration numbers

Properties

Safety Information

TSCA Listed

false

Storage Warning

IRRITANT

MSDS Link

Download link

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• Synonyms

• IUPAC name

• IUPAC Traditional name

Registration numbers

• MDL Number

• PubChem SID

• CAS Number

• PubChem CID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:24540