5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine

C10H9ClN2S — CID 795027

IUPAC5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C10H9ClN2S/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChIKeyTWPTUTQCRHZBBC-UHFFFAOYSA-N
MW224.72 g/mol
LogP2.97
Rot. Bonds2

About 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine

5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 795027) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID795027
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C10H9ClN2S/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChIKeyTWPTUTQCRHZBBC-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine (CID 795027) is 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is TWPTUTQCRHZBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13).
What are the key properties of 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine?
5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 224.72 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 795027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).