2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide

C13H13ClN2OS — CID 43699209

IUPAC2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2cccc(NC(=O)C(C)Cl)c2)cs1
InChIInChI=1S/C13H13ClN2OS/c1-8(14)13(17)16-11-5-3-4-10(6-11)12-7-18-9(2)15-12/h3-8H,1-2H3,(H,16,17)
InChIKeyVZRILKQSZBEXDW-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.68
Rot. Bonds3

About 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide

2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 43699209) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID43699209
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2cccc(NC(=O)C(C)Cl)c2)cs1
InChIInChI=1S/C13H13ClN2OS/c1-8(14)13(17)16-11-5-3-4-10(6-11)12-7-18-9(2)15-12/h3-8H,1-2H3,(H,16,17)
InChIKeyVZRILKQSZBEXDW-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 76887854
2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675510
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
(2S)-2-amino-4-methylsulfanyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119270939
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
N-(3-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 24561871
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 135686693
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 43699209) is 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is Cc1nc(-c2cccc(NC(=O)C(C)Cl)c2)cs1.
What is the InChIKey of 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is VZRILKQSZBEXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-8(14)13(17)16-11-5-3-4-10(6-11)12-7-18-9(2)15-12/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 280.78 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 43699209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).