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

C22H15ClFNO2S2 — CID 22912115

IUPAC2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2cccc(F)c2)cc1
InChIInChI=1S/C22H15ClFNO2S2/c1-29(26,27)17-11-9-14(10-12-17)21-20(15-5-4-6-16(24)13-15)25-22(28-21)18-7-2-3-8-19(18)23/h2-13H,1H3
InChIKeyWKZPKGNJWJXPNK-UHFFFAOYSA-N
MW443.95 g/mol
LogP6.34
Rot. Bonds4

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

2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 22912115) has the molecular formula C22H15ClFNO2S2 and a molecular weight of 443.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID22912115
Molecular FormulaC22H15ClFNO2S2
Molecular Weight443.95 g/mol
Exact Mass443.02
IUPAC Name2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2cccc(F)c2)cc1
InChIInChI=1S/C22H15ClFNO2S2/c1-29(26,27)17-11-9-14(10-12-17)21-20(15-5-4-6-16(24)13-15)25-22(28-21)18-7-2-3-8-19(18)23/h2-13H,1H3
InChIKeyWKZPKGNJWJXPNK-UHFFFAOYSA-N
XLogP6.34
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.95
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole (CID 22912115) is 2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2cccc(F)c2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is WKZPKGNJWJXPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO2S2/c1-29(26,27)17-11-9-14(10-12-17)21-20(15-5-4-6-16(24)13-15)25-22(28-21)18-7-2-3-8-19(18)23/h2-13H,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 443.95 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 22912115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).