1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one

C13H12ClNOS — CID 58782173

IUPAC1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12ClNOS/c1-8(2)12(16)11-7-17-13(15-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3
InChIKeyBZBLUKJDMHMGAK-UHFFFAOYSA-N
MW265.77 g/mol
LogP4.30
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one

1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one (PubChem CID 58782173) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
PubChem CID58782173
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12ClNOS/c1-8(2)12(16)11-7-17-13(15-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3
InChIKeyBZBLUKJDMHMGAK-UHFFFAOYSA-N
XLogP4.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one 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-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120827406
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119584366
2-(4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 42923069
2-(4-chlorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 47028512
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 119508471
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695137
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one (CID 58782173) is 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one is CC(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one?
The InChIKey is BZBLUKJDMHMGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-8(2)12(16)11-7-17-13(15-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one?
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one has a molecular weight of 265.77 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 58782173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).