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

C23H17F2NO2S3 — CID 22912370

IUPAC4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1sc(SCc2cccc(F)c2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2NO2S3/c1-31(27,28)20-8-3-2-7-19(20)22-21(16-9-11-17(24)12-10-16)26-23(30-22)29-14-15-5-4-6-18(25)13-15/h2-13H,14H2,1H3
InChIKeyWUKPRNVEHMXBNU-UHFFFAOYSA-N
MW473.59 g/mol
LogP6.45
Rot. Bonds6

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

4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 22912370) has the molecular formula C23H17F2NO2S3 and a molecular weight of 473.59 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole
PubChem CID22912370
Molecular FormulaC23H17F2NO2S3
Molecular Weight473.59 g/mol
Exact Mass473.04
IUPAC Name4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1sc(SCc2cccc(F)c2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2NO2S3/c1-31(27,28)20-8-3-2-7-19(20)22-21(16-9-11-17(24)12-10-16)26-23(30-22)29-14-15-5-4-6-18(25)13-15/h2-13H,14H2,1H3
InChIKeyWUKPRNVEHMXBNU-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
5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912167
4-(4-fluorophenyl)-2-(4-methylphenyl)sulfanyl-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912129
4-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912114
2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912110
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911850
2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911777
4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22911720
2-[(3,5-difluorophenyl)methylsulfonyl]-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911993
2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912319
N-(3-fluorophenyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22911940
N-(4-bromophenyl)-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22912345

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole (CID 22912370) is 4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccccc1-c1sc(SCc2cccc(F)c2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is WUKPRNVEHMXBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO2S3/c1-31(27,28)20-8-3-2-7-19(20)22-21(16-9-11-17(24)12-10-16)26-23(30-22)29-14-15-5-4-6-18(25)13-15/h2-13H,14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole?
4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(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 4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 22912370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).