1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one

C12H10ClNOS — CID 112642228

IUPAC1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1cncs1
InChIInChI=1S/C12H10ClNOS/c13-10-3-1-9(2-4-10)5-11(15)6-12-7-14-8-16-12/h1-4,7-8H,5-6H2
InChIKeyIZAXWGVLTAESMT-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one

1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 112642228) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID112642228
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1cncs1
InChIInChI=1S/C12H10ClNOS/c13-10-3-1-9(2-4-10)5-11(15)6-12-7-14-8-16-12/h1-4,7-8H,5-6H2
InChIKeyIZAXWGVLTAESMT-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642220
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642259
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642327
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642366
1-(4-chlorophenyl)butan-2-one
CID 39237509
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one (CID 112642228) is 1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one is O=C(Cc1ccc(Cl)cc1)Cc1cncs1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is IZAXWGVLTAESMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-10-3-1-9(2-4-10)5-11(15)6-12-7-14-8-16-12/h1-4,7-8H,5-6H2.
What are the key properties of 1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one?
1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one has a molecular weight of 251.74 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 112642228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).