(5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone

C8H4ClNOS2 — CID 78923566

IUPAC(5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)c1ccc(Cl)s1
InChIInChI=1S/C8H4ClNOS2/c9-7-2-1-6(13-7)8(11)5-3-12-4-10-5/h1-4H
InChIKeyLOKLKDCRUMCDMB-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.09
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone

(5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 78923566) has the molecular formula C8H4ClNOS2 and a molecular weight of 229.71 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID78923566
Molecular FormulaC8H4ClNOS2
Molecular Weight229.71 g/mol
Exact Mass228.94
IUPAC Name(5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)c1ccc(Cl)s1
InChIInChI=1S/C8H4ClNOS2/c9-7-2-1-6(13-7)8(11)5-3-12-4-10-5/h1-4H
InChIKeyLOKLKDCRUMCDMB-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chlorothiophen-2-yl)-pyridin-2-ylmethanone
CID 53401492
(5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82132569
(5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate
CID 174962332
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(1,3-thiazol-4-yl)methanone
CID 130908674
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 62045486
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
1,3-thiazole-4-carboxylic acid bromide
CID 53314464
(4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone
CID 131204212
(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105122606
(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972633
2-oxo-2-(1,3-thiazol-4-yl)acetic acid
CID 13187915
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone (CID 78923566) is (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is LOKLKDCRUMCDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNOS2/c9-7-2-1-6(13-7)8(11)5-3-12-4-10-5/h1-4H.
What are the key properties of (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone?
(5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 229.71 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 78923566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).