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

C12H10ClNOS — CID 115089439

IUPAC1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H10ClNOS/c1-8(15)5-11-7-16-12(14-11)9-3-2-4-10(13)6-9/h2-4,6-7H,5H2,1H3
InChIKeyVSYLTTKYLTVYIR-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.60
Rot. Bonds3

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

1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one (PubChem CID 115089439) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
PubChem CID115089439
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H10ClNOS/c1-8(15)5-11-7-16-12(14-11)9-3-2-4-10(13)6-9/h2-4,6-7H,5H2,1H3
InChIKeyVSYLTTKYLTVYIR-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890262
4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
CID 119093841
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9488944
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
(2R)-2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 124647560
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 16560761
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
CID 46981953
(2S)-2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45492023

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one (CID 115089439) is 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one is CC(=O)Cc1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The InChIKey is VSYLTTKYLTVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-8(15)5-11-7-16-12(14-11)9-3-2-4-10(13)6-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one?
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one has a molecular weight of 251.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one is sourced from PubChem (CID 115089439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).