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

C13H12ClNOS — CID 82540986

IUPAC1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C)nc1-c1cccc(Cl)c1C
InChIInChI=1S/C13H12ClNOS/c1-7-10(5-4-6-11(7)14)12-13(8(2)16)17-9(3)15-12/h4-6H,1-3H3
InChIKeyPPAJTXCFWJJGSC-UHFFFAOYSA-N
MW265.76 g/mol
LogP4.28
Rot. Bonds2

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

1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 82540986) has the molecular formula C13H12ClNOS and a molecular weight of 265.76 g/mol. Its IUPAC name is 1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID82540986
Molecular FormulaC13H12ClNOS
Molecular Weight265.76 g/mol
Exact Mass265.03
IUPAC Name1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C)nc1-c1cccc(Cl)c1C
InChIInChI=1S/C13H12ClNOS/c1-7-10(5-4-6-11(7)14)12-13(8(2)16)17-9(3)15-12/h4-6H,1-3H3
InChIKeyPPAJTXCFWJJGSC-UHFFFAOYSA-N
XLogP4.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 86660450
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106696128
1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 82541050
4-(2-chlorophenyl)-2,5-dimethyl-1,3-thiazole
CID 18342389
1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
CID 43155241
4-(2-chlorophenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082381
5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid
CID 43153970
[2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617882
5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid
CID 53223446
1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
CID 82769802
2-(3-chloro-2-methylphenyl)pyridin-3-amine
CID 82393115

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone (CID 82540986) is 1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(C)nc1-c1cccc(Cl)c1C.
What is the InChIKey of 1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is PPAJTXCFWJJGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-7-10(5-4-6-11(7)14)12-13(8(2)16)17-9(3)15-12/h4-6H,1-3H3.
What are the key properties of 1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone?
1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 265.76 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82540986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).