1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone

C12H10ClNOS — CID 2728459

IUPAC1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H10ClNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKeyXMWJEFHMMZUNES-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.97
Rot. Bonds2

About 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 2728459) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID2728459
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H10ClNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKeyXMWJEFHMMZUNES-UHFFFAOYSA-N
XLogP3.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 540397
4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2768679
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 2743521
1-[2-(3-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 3814431
1-(5-Methyl-2-phenyl-1,3-thiazol-4-yl)ethanone
CID 4616789
(E)-1-[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)-2-propen-1-one
CID 1477652
N'5-isobutyryl-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 2743523
2-Bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-ethanone
CID 2794647
Methyl 4-(dibromomethyl)-2-(4-chlorophenyl)thiazole-5-carboxylate
CID 24951029
(E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5376566
1-[2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 537858

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 2728459) is 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is XMWJEFHMMZUNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6H,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 251.74 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 2728459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).