1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone

C12H10ClNOS — CID 115786506

IUPAC1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCc1cccc(C(=O)Cc2nccs2)c1Cl
InChIInChI=1S/C12H10ClNOS/c1-8-3-2-4-9(12(8)13)10(15)7-11-14-5-6-16-11/h2-6H,7H2,1H3
InChIKeyQFFOCGBXBXVQQO-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone

1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 115786506) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID115786506
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCc1cccc(C(=O)Cc2nccs2)c1Cl
InChIInChI=1S/C12H10ClNOS/c1-8-3-2-4-9(12(8)13)10(15)7-11-14-5-6-16-11/h2-6H,7H2,1H3
InChIKeyQFFOCGBXBXVQQO-UHFFFAOYSA-N
XLogP3.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792581
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 112731600
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
3-amino-1-(2-chloro-3-methylphenyl)propan-1-one
CID 117287477
1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 105118017
1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786541
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978978
1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558
1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116560365
1-(2-chloro-3-methylphenyl)pent-3-yn-1-one
CID 114964956

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone (CID 115786506) is 1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone is Cc1cccc(C(=O)Cc2nccs2)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is QFFOCGBXBXVQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-8-3-2-4-9(12(8)13)10(15)7-11-14-5-6-16-11/h2-6H,7H2,1H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 251.74 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 115786506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).