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

C12H10ClNOS — CID 60977103

IUPAC1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C12H10ClNOS/c1-8-7-16-12(14-8)6-11(15)9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3
InChIKeyMPJSLVJXNOYDCG-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.53
Rot. Bonds3

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

1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 60977103) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID60977103
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C12H10ClNOS/c1-8-7-16-12(14-8)6-11(15)9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3
InChIKeyMPJSLVJXNOYDCG-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

2,4-Dimethyl-3-(2-oxo-2-phenylethyl)-1,3-thiazol-3-ium
CID 411743
(4-Chlorophenyl)(4-methylthiazol-2-yl)methanone
CID 39234450
Sodium 2-(2-((3-chlorophenyl)methyl)-1,3-thiazol-4-yl)acetate
CID 42956622
1-(4-Methyl-1,3-thiazol-2-yl)-2-phenylethanone
CID 5324800
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 17950308
2-(4-Methyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 54372899
Phenacyldimethylthiazolium chloride
CID 56968494
2-(2,3-Dimethyl-1,3-thiazol-3-ium-4-yl)-1-phenylethanone
CID 56968495
2-(4-Tert-butyl-1,3-thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)-3-oxopropanenitrile
CID 57225162
(4-Fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 58038956
1-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-dione
CID 59213873
1-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977242

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 60977103) is 1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is MPJSLVJXNOYDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-8-7-16-12(14-8)6-11(15)9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(3-chlorophenyl)-2-(4-methyl-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-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 60977103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).