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

C11H8ClNOS — CID 4616219

IUPAC1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C11H8ClNOS/c1-7(14)10-6-13-11(15-10)8-3-2-4-9(12)5-8/h2-6H,1H3
InChIKeyOKEKBXCEKDVYJZ-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.67
Rot. Bonds2

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

1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 4616219) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone
PubChem CID4616219
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C11H8ClNOS/c1-7(14)10-6-13-11(15-10)8-3-2-4-9(12)5-8/h2-6H,1H3
InChIKeyOKEKBXCEKDVYJZ-UHFFFAOYSA-N
XLogP3.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 3814431
(E)-1-[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)-2-propen-1-one
CID 1477652
(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]-phenylmethanone
CID 3789019
(2-(4-Chlorophenyl)-1,3-thiazol-5-yl)(2,4-dichlorophenyl)methanone
CID 3851581
2,2,2-Trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanone
CID 17747369
1-(2-Phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 608996
(4-Chlorophenyl)(2-phenyl-1,3-thiazol-5-yl)methanone
CID 2798577
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-(Dimethylamino)-1-(2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 6184028

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone (CID 4616219) is 1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is OKEKBXCEKDVYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c1-7(14)10-6-13-11(15-10)8-3-2-4-9(12)5-8/h2-6H,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 237.71 g/mol, XLogP of 3.67, 2 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-5-yl]ethanone is sourced from PubChem (CID 4616219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).