5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole

C23H17F2NO2S3 — CID 22912167

IUPAC5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1nc(SCc2ccc(F)cc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2NO2S3/c1-31(27,28)20-5-3-2-4-19(20)21-22(16-8-12-18(25)13-9-16)30-23(26-21)29-14-15-6-10-17(24)11-7-15/h2-13H,14H2,1H3
InChIKeyNHLYALVEZUEDCQ-UHFFFAOYSA-N
MW473.59 g/mol
LogP6.45
Rot. Bonds6

About 5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole

5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 22912167) has the molecular formula C23H17F2NO2S3 and a molecular weight of 473.59 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole
PubChem CID22912167
Molecular FormulaC23H17F2NO2S3
Molecular Weight473.59 g/mol
Exact Mass473.04
IUPAC Name5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1nc(SCc2ccc(F)cc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2NO2S3/c1-31(27,28)20-5-3-2-4-19(20)21-22(16-8-12-18(25)13-9-16)30-23(26-21)29-14-15-6-10-17(24)11-7-15/h2-13H,14H2,1H3
InChIKeyNHLYALVEZUEDCQ-UHFFFAOYSA-N
XLogP6.45
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911817
4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912370
2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912319
2-[(3,5-difluorophenyl)methylsulfonyl]-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911993
4-(4-fluorophenyl)-2-(4-methylphenyl)sulfanyl-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912129
N-(3-fluorophenyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22911940
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911850
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)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22911720
2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912110
4-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912114

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole (CID 22912167) is 5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccccc1-c1nc(SCc2ccc(F)cc2)sc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is NHLYALVEZUEDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO2S3/c1-31(27,28)20-5-3-2-4-19(20)21-22(16-8-12-18(25)13-9-16)30-23(26-21)29-14-15-6-10-17(24)11-7-15/h2-13H,14H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole?
5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 473.59 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 22912167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).