4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide

C8H11ClN2OS — CID 130710425

IUPAC4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)N(C)C(=O)c1nc(Cl)cs1
InChIInChI=1S/C8H11ClN2OS/c1-5(2)11(3)8(12)7-10-6(9)4-13-7/h4-5H,1-3H3
InChIKeyFVJFXQMSYXPSTB-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.28
Rot. Bonds2

About 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide

4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 130710425) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID130710425
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)N(C)C(=O)c1nc(Cl)cs1
InChIInChI=1S/C8H11ClN2OS/c1-5(2)11(3)8(12)7-10-6(9)4-13-7/h4-5H,1-3H3
InChIKeyFVJFXQMSYXPSTB-UHFFFAOYSA-N
XLogP2.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-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

4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide
CID 130660610
4-chloro-N-methoxy-1,3-thiazole-2-carboxamide
CID 130831213
2-[methyl(pentan-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696720
4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 134210113
4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
CID 130653904
4-chloro-N,N-dimethyl-1,3-thiazol-2-amine
CID 68840678
4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 83155951
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218
4-chloro-2-[(2E)-penta-2,4-dien-2-yl]-1,3-thiazole
CID 89286590
2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696928
2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid
CID 122111573
2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696918

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide (CID 130710425) is 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)N(C)C(=O)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is FVJFXQMSYXPSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-5(2)11(3)8(12)7-10-6(9)4-13-7/h4-5H,1-3H3.
What are the key properties of 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 218.71 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130710425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).