[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone

C16H10ClNOS — CID 3789019

IUPAC[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H10ClNOS/c17-13-8-6-12(7-9-13)16-18-10-14(20-16)15(19)11-4-2-1-3-5-11/h1-10H
InChIKeyLSFVQNRVOSBHHU-UHFFFAOYSA-N
MW299.78 g/mol
LogP4.69
Rot. Bonds3

About [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone

[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 3789019) has the molecular formula C16H10ClNOS and a molecular weight of 299.78 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID3789019
Molecular FormulaC16H10ClNOS
Molecular Weight299.78 g/mol
Exact Mass299.02
IUPAC Name[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H10ClNOS/c17-13-8-6-12(7-9-13)16-18-10-14(20-16)15(19)11-4-2-1-3-5-11/h1-10H
InChIKeyLSFVQNRVOSBHHU-UHFFFAOYSA-N
XLogP4.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(3-Chlorophenyl)thiazol-5-yl)ethanone
CID 4616219
(2,4-Dichlorophenyl)(2-phenyl-1,3-thiazol-5-yl)methanone
CID 1482558
(4-Chlorophenyl)(2-(4-chlorophenyl)-1,3-thiazol-5-yl)methanone
CID 3316145
(2-(4-Chlorophenyl)-1,3-thiazol-5-yl)(2,4-dichlorophenyl)methanone
CID 3851581
Phenyl(2-phenyl-1,3-thiazol-5-yl)methanone
CID 3780158
(4-Chlorophenyl)(2-phenyl-1,3-thiazol-5-yl)methanone
CID 2798577
(E)-3-(4-chlorophenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5920616
1-[2-(4-Chlorophenyl)-1,3-thiazol-5-yl]-3-(dimethylamino)-2-propen-1-one
CID 5929094
(E)-1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]-3-(dimethylamino)-2-propen-1-one
CID 6066471
3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-oxopropanal O-methyloxime
CID 9637124
3-oxo-3-(2-phenyl-1,3-thiazol-5-yl)propanal O-(4-chlorobenzyl)oxime
CID 9638858
(2-Chlorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone
CID 145991674

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone (CID 3789019) is [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1cnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is LSFVQNRVOSBHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNOS/c17-13-8-6-12(7-9-13)16-18-10-14(20-16)15(19)11-4-2-1-3-5-11/h1-10H.
What are the key properties of [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone?
[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 299.78 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 3789019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).