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

C22H15ClFNO2S2 — CID 10433546

IUPAC2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(-c3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H15ClFNO2S2/c1-29(26,27)19-12-6-15(7-13-19)21-20(14-4-10-18(24)11-5-14)25-22(28-21)16-2-8-17(23)9-3-16/h2-13H,1H3
InChIKeyJNVALRCBOIOUGL-UHFFFAOYSA-N
MW443.95 g/mol
LogP6.34
Rot. Bonds4

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

2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 10433546) has the molecular formula C22H15ClFNO2S2 and a molecular weight of 443.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID10433546
Molecular FormulaC22H15ClFNO2S2
Molecular Weight443.95 g/mol
Exact Mass443.02
IUPAC Name2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(-c3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H15ClFNO2S2/c1-29(26,27)19-12-6-15(7-13-19)21-20(14-4-10-18(24)11-5-14)25-22(28-21)16-2-8-17(23)9-3-16/h2-13H,1H3
InChIKeyJNVALRCBOIOUGL-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-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole (CID 10433546) is 2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccc(-c2sc(-c3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is JNVALRCBOIOUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO2S2/c1-29(26,27)19-12-6-15(7-13-19)21-20(14-4-10-18(24)11-5-14)25-22(28-21)16-2-8-17(23)9-3-16/h2-13H,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
2-(4-chlorophenyl)-4-(4-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-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 10433546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).