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

C13H12ClNOS — CID 62796005

IUPAC1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C13H12ClNOS/c1-9-8-17-13(15-9)7-12(16)6-10-3-2-4-11(14)5-10/h2-5,8H,6-7H2,1H3
InChIKeyXVPKLAYTVGDJFF-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.46
Rot. Bonds4

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

1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 62796005) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
PubChem CID62796005
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C13H12ClNOS/c1-9-8-17-13(15-9)7-12(16)6-10-3-2-4-11(14)5-10/h2-5,8H,6-7H2,1H3
InChIKeyXVPKLAYTVGDJFF-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 103039345
1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977103
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62794962
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796856
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795128
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115633676
1-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642220

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (CID 62796005) is 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is Cc1csc(CC(=O)Cc2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is XVPKLAYTVGDJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-9-8-17-13(15-9)7-12(16)6-10-3-2-4-11(14)5-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 265.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 62796005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).