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

C22H16ClNO2S2 — CID 22911779

IUPAC2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1sc(-c2ccccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C22H16ClNO2S2/c1-28(25,26)19-14-8-6-12-17(19)21-20(15-9-3-2-4-10-15)24-22(27-21)16-11-5-7-13-18(16)23/h2-14H,1H3
InChIKeyWVPFBOGSKFPXRJ-UHFFFAOYSA-N
MW425.96 g/mol
LogP6.20
Rot. Bonds4

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

2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole (PubChem CID 22911779) has the molecular formula C22H16ClNO2S2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole
PubChem CID22911779
Molecular FormulaC22H16ClNO2S2
Molecular Weight425.96 g/mol
Exact Mass425.03
IUPAC Name2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1sc(-c2ccccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C22H16ClNO2S2/c1-28(25,26)19-14-8-6-12-17(19)21-20(15-9-3-2-4-10-15)24-22(27-21)16-11-5-7-13-18(16)23/h2-14H,1H3
InChIKeyWVPFBOGSKFPXRJ-UHFFFAOYSA-N
XLogP6.20
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 56.20
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-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole (CID 22911779) is 2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole is CS(=O)(=O)c1ccccc1-c1sc(-c2ccccc2Cl)nc1-c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole?
The InChIKey is WVPFBOGSKFPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO2S2/c1-28(25,26)19-14-8-6-12-17(19)21-20(15-9-3-2-4-10-15)24-22(27-21)16-11-5-7-13-18(16)23/h2-14H,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole?
2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole has a molecular weight of 425.96 g/mol, XLogP of 6.20, 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-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 22911779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).