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

C22H15Cl2NO2S2 — CID 54110135

IUPAC2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2nc(-c3ccccc3Cl)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15Cl2NO2S2/c1-29(26,27)17-12-8-14(9-13-17)20-21(15-6-10-16(23)11-7-15)28-22(25-20)18-4-2-3-5-19(18)24/h2-13H,1H3
InChIKeyNGMSUOZXUVYFRM-UHFFFAOYSA-N
MW460.41 g/mol
LogP6.85
Rot. Bonds4

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

2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 54110135) has the molecular formula C22H15Cl2NO2S2 and a molecular weight of 460.41 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID54110135
Molecular FormulaC22H15Cl2NO2S2
Molecular Weight460.41 g/mol
Exact Mass458.99
IUPAC Name2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2nc(-c3ccccc3Cl)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15Cl2NO2S2/c1-29(26,27)17-12-8-14(9-13-17)20-21(15-6-10-16(23)11-7-15)28-22(25-20)18-4-2-3-5-19(18)24/h2-13H,1H3
InChIKeyNGMSUOZXUVYFRM-UHFFFAOYSA-N
XLogP6.85
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.41
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole (CID 54110135) is 2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3Cl)sc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is NGMSUOZXUVYFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO2S2/c1-29(26,27)17-12-8-14(9-13-17)20-21(15-6-10-16(23)11-7-15)28-22(25-20)18-4-2-3-5-19(18)24/h2-13H,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole?
2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 460.41 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 54110135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).