1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one

C13H12ClNOS — CID 166494680

IUPAC1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ncc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H12ClNOS/c1-8(2)12(16)13-15-7-11(17-13)9-3-5-10(14)6-4-9/h3-8H,1-2H3
InChIKeyIOVJUTKPLIZWPD-UHFFFAOYSA-N
MW265.77 g/mol
LogP4.30
Rot. Bonds3

About 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one

1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one (PubChem CID 166494680) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
PubChem CID166494680
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ncc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H12ClNOS/c1-8(2)12(16)13-15-7-11(17-13)9-3-5-10(14)6-4-9/h3-8H,1-2H3
InChIKeyIOVJUTKPLIZWPD-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

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Related Compounds

1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
CID 160879816
1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone
CID 122212027
5-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole
CID 126761413
3-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]pentanedioic acid
CID 59981058
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
CID 58782173
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 166892998
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 70025854
2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 53273769
(2S,3S)-N-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 138023538
5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid
CID 22709467
4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide
CID 86945187

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one (CID 166494680) is 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1ncc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one?
The InChIKey is IOVJUTKPLIZWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-8(2)12(16)13-15-7-11(17-13)9-3-5-10(14)6-4-9/h3-8H,1-2H3.
What are the key properties of 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one?
1-[5-(4-chlorophenyl)-1,3-thiazol-2-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-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 166494680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).