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

C13H13ClN2OS — CID 55144973

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)c1cscn1
InChIInChI=1S/C13H13ClN2OS/c1-9(6-10-4-2-3-5-11(10)14)16-13(17)12-7-18-8-15-12/h2-5,7-9H,6H2,1H3,(H,16,17)
InChIKeySDCXABFOUZDBGJ-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.16
Rot. Bonds4

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

N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 55144973) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID55144973
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)c1cscn1
InChIInChI=1S/C13H13ClN2OS/c1-9(6-10-4-2-3-5-11(10)14)16-13(17)12-7-18-8-15-12/h2-5,7-9H,6H2,1H3,(H,16,17)
InChIKeySDCXABFOUZDBGJ-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-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

6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide
CID 61040940
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 71852991
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 75387926
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 55144973) is N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is CC(Cc1ccccc1Cl)NC(=O)c1cscn1.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is SDCXABFOUZDBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-9(6-10-4-2-3-5-11(10)14)16-13(17)12-7-18-8-15-12/h2-5,7-9H,6H2,1H3,(H,16,17).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55144973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).