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

C15H10ClNOS2 — CID 10734418

IUPAC1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Cl)cc2)nc1-c1cccs1
InChIInChI=1S/C15H10ClNOS2/c1-9(18)14-13(12-3-2-8-19-12)17-15(20-14)10-4-6-11(16)7-5-10/h2-8H,1H3
InChIKeyZUGYEWMRIUFYCX-UHFFFAOYSA-N
MW319.84 g/mol
LogP5.39
Rot. Bonds3

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

1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone (PubChem CID 10734418) has the molecular formula C15H10ClNOS2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
PubChem CID10734418
Molecular FormulaC15H10ClNOS2
Molecular Weight319.84 g/mol
Exact Mass318.99
IUPAC Name1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Cl)cc2)nc1-c1cccs1
InChIInChI=1S/C15H10ClNOS2/c1-9(18)14-13(12-3-2-8-19-12)17-15(20-14)10-4-6-11(16)7-5-10/h2-8H,1H3
InChIKeyZUGYEWMRIUFYCX-UHFFFAOYSA-N
XLogP5.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.84
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 136699796
furan-2-yl-[2-(4-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]methanone
CID 102583273
1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82431610
4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide
CID 171703835
1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541304
1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541265
N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 71671047
1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 82430291
2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 24515088
2-(4-chlorophenyl)-N,4-dimethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 39996104
4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid
CID 110447711
N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 55916212

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone (CID 10734418) is 1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccc(Cl)cc2)nc1-c1cccs1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone?
The InChIKey is ZUGYEWMRIUFYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS2/c1-9(18)14-13(12-3-2-8-19-12)17-15(20-14)10-4-6-11(16)7-5-10/h2-8H,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone?
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone has a molecular weight of 319.84 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 10734418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).