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

C17H14ClNO2S — CID 735724

IUPAC4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1OC
InChIInChI=1S/C17H14ClNO2S/c1-20-15-8-5-12(9-16(15)21-2)17-19-14(10-22-17)11-3-6-13(18)7-4-11/h3-10H,1-2H3
InChIKeyOXTHFCVLLNTNRZ-UHFFFAOYSA-N
MW331.82 g/mol
LogP5.15
Rot. Bonds4

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

4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole (PubChem CID 735724) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole
PubChem CID735724
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC Name4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1OC
InChIInChI=1S/C17H14ClNO2S/c1-20-15-8-5-12(9-16(15)21-2)17-19-14(10-22-17)11-3-6-13(18)7-4-11/h3-10H,1-2H3
InChIKeyOXTHFCVLLNTNRZ-UHFFFAOYSA-N
XLogP5.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.82
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole (CID 735724) is 4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole is COc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1OC.
What is the InChIKey of 4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole?
The InChIKey is OXTHFCVLLNTNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c1-20-15-8-5-12(9-16(15)21-2)17-19-14(10-22-17)11-3-6-13(18)7-4-11/h3-10H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole has a molecular weight of 331.82 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 735724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).