2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde

C10H6ClNOS — CID 2115215

IUPAC2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H6ClNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H
InChIKeyQVEJNZQGJYCMKA-UHFFFAOYSA-N
MW223.68 g/mol
LogP3.28
Rot. Bonds2

About 2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde

2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 2115215) has the molecular formula C10H6ClNOS and a molecular weight of 223.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID2115215
Molecular FormulaC10H6ClNOS
Molecular Weight223.68 g/mol
Exact Mass222.99
IUPAC Name2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H6ClNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H
InChIKeyQVEJNZQGJYCMKA-UHFFFAOYSA-N
XLogP3.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde 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

2-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 63092785
2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
CID 60998486
(E)-3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
CID 5376329
2-(4-chlorophenyl)-4-[(E)-2-nitroethenyl]-1,3-thiazole
CID 153354646
4-chloro-2-(4-chlorophenyl)-1,3-thiazole
CID 83158200
2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde
CID 176659494
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
CID 82516005
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
CID 50990810
2-(2,5-difluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 63663256
2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde
CID 45480208
(3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one
CID 18279198
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175195

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde (CID 2115215) is 2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde is O=Cc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is QVEJNZQGJYCMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H.
What are the key properties of 2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde?
2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 223.68 g/mol, XLogP of 3.28, 2 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-thiazole-4-carbaldehyde is sourced from PubChem (CID 2115215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).