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

C17H12F3NO2S2 — CID 22912319

IUPAC2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1nc(C(F)F)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H12F3NO2S2/c1-25(22,23)13-5-3-2-4-12(13)14-15(24-17(21-14)16(19)20)10-6-8-11(18)9-7-10/h2-9,16H,1H3
InChIKeyJJGHETWLHUEVSW-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.96
Rot. Bonds4

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

2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 22912319) has the molecular formula C17H12F3NO2S2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
PubChem CID22912319
Molecular FormulaC17H12F3NO2S2
Molecular Weight383.42 g/mol
Exact Mass383.03
IUPAC Name2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1nc(C(F)F)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H12F3NO2S2/c1-25(22,23)13-5-3-2-4-12(13)14-15(24-17(21-14)16(19)20)10-6-8-11(18)9-7-10/h2-9,16H,1H3
InChIKeyJJGHETWLHUEVSW-UHFFFAOYSA-N
XLogP4.96
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-difluorophenyl)methylsulfonyl]-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911993
5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912167
N-(3-fluorophenyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22911940
4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22912237
(3-chlorophenyl)-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
CID 22911965
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911850
5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911908
5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole
CID 67694221
2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912110
4-(4-fluorophenyl)-2-(4-methylphenyl)sulfanyl-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912129
4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912370
4-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912114

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole (CID 22912319) is 2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccccc1-c1nc(C(F)F)sc1-c1ccc(F)cc1.
What is the InChIKey of 2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is JJGHETWLHUEVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2S2/c1-25(22,23)13-5-3-2-4-12(13)14-15(24-17(21-14)16(19)20)10-6-8-11(18)9-7-10/h2-9,16H,1H3.
What are the key properties of 2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole?
2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 383.42 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 22912319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).