2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole

C20H14ClNO2S3 — CID 22912244

IUPAC2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccsc2)cc1
InChIInChI=1S/C20H14ClNO2S3/c1-27(23,24)15-8-6-13(7-9-15)19-18(14-10-11-25-12-14)22-20(26-19)16-4-2-3-5-17(16)21/h2-12H,1H3
InChIKeyWTYHOUONCCIPGQ-UHFFFAOYSA-N
MW431.99 g/mol
LogP6.26
Rot. Bonds4

About 2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole

2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole (PubChem CID 22912244) has the molecular formula C20H14ClNO2S3 and a molecular weight of 431.99 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole
PubChem CID22912244
Molecular FormulaC20H14ClNO2S3
Molecular Weight431.99 g/mol
Exact Mass430.99
IUPAC Name2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccsc2)cc1
InChIInChI=1S/C20H14ClNO2S3/c1-27(23,24)15-8-6-13(7-9-15)19-18(14-10-11-25-12-14)22-20(26-19)16-4-2-3-5-17(16)21/h2-12H,1H3
InChIKeyWTYHOUONCCIPGQ-UHFFFAOYSA-N
XLogP6.26
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.99
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole (CID 22912244) is 2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole is CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccsc2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole?
The InChIKey is WTYHOUONCCIPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2S3/c1-27(23,24)15-8-6-13(7-9-15)19-18(14-10-11-25-12-14)22-20(26-19)16-4-2-3-5-17(16)21/h2-12H,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole?
2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole has a molecular weight of 431.99 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 22912244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).