5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-amine|5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-amine|5-phenyl-5H-thiazolo[4,3-b][1,3,4]thiadiazol-2-amine|5-Phenyl[1,3]thiazolo[4,3-b]-...

General Information

Structure

Molecular Formula

C₁₀H₉N₃S₂

Molecular Mass

235.32856

Exact Mass

235.0237893

Charge

InChI

InChI=1S/C10H9N3S2/c11-10-12-13-8(15-10)6-14-9(13)7-4-2-1-3-5-7/h1-6,9H,(H2,11,12)

InChIKey

KMFIBTJJVASSRH-UHFFFAOYSA-N

Canonic Smiles

Nc1sc2=CSC(n2n1)c1ccccc1

Isomeric Smiles

s1c(nn2c1=CSC2c1ccccc1)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.063405

LogD (pH = 7.4)

2.4583108

Log P

2.4666486

Molar Refractivity

74.9861

Polarizability

25.163107

Polar Surface Area

41.62

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-amine

IUPAC Traditional name

5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-amine

Synonyms

5-phenyl-5H-thiazolo[4,3-b][1,3,4]thiadiazol-2-amine5-Phenyl[1,3]thiazolo[4,3-b]-[1,3,4]thiadiazol-2-amine

Names and Identifiers

Registration numbers

PubChem SID

162104066

PubChem CID

2841300

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Warning

IRRITANT

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC name

• IUPAC Traditional name

• Synonyms

Registration numbers

• PubChem SID

• PubChem CID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:71901