4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole

C21H14ClNS — CID 130289530

IUPAC4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole
SMILESClc1ccc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C21H14ClNS/c22-19-11-9-15(10-12-19)17-7-4-8-18(13-17)20-14-24-21(23-20)16-5-2-1-3-6-16/h1-14H
InChIKeyLAGVGQYOIGCYBK-UHFFFAOYSA-N
MW347.87 g/mol
LogP6.80
Rot. Bonds3

About 4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole

4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole (PubChem CID 130289530) has the molecular formula C21H14ClNS and a molecular weight of 347.87 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole
PubChem CID130289530
Molecular FormulaC21H14ClNS
Molecular Weight347.87 g/mol
Exact Mass347.05
IUPAC Name4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole
SMILESClc1ccc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C21H14ClNS/c22-19-11-9-15(10-12-19)17-7-4-8-18(13-17)20-14-24-21(23-20)16-5-2-1-3-6-16/h1-14H
InChIKeyLAGVGQYOIGCYBK-UHFFFAOYSA-N
XLogP6.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.87
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole (CID 130289530) is 4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole is Clc1ccc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole?
The InChIKey is LAGVGQYOIGCYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNS/c22-19-11-9-15(10-12-19)17-7-4-8-18(13-17)20-14-24-21(23-20)16-5-2-1-3-6-16/h1-14H.
What are the key properties of 4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole?
4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole has a molecular weight of 347.87 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)phenyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 130289530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).