N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

C13H13ClN2OS — CID 110462220

IUPACN-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cscn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2OS/c1-13(2,9-3-5-10(14)6-4-9)16-12(17)11-7-18-8-15-11/h3-8H,1-2H3,(H,16,17)
InChIKeyVOWLHHQNEUVDNW-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.46
Rot. Bonds3

About N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 110462220) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID110462220
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cscn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2OS/c1-13(2,9-3-5-10(14)6-4-9)16-12(17)11-7-18-8-15-11/h3-8H,1-2H3,(H,16,17)
InChIKeyVOWLHHQNEUVDNW-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide 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

N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110471801
N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62046167
N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 114307887
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 115610740
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide
CID 110445987
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 110462220) is N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is CC(C)(NC(=O)c1cscn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VOWLHHQNEUVDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-13(2,9-3-5-10(14)6-4-9)16-12(17)11-7-18-8-15-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110462220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).