4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide

C25H21FN2O3S2 — CID 22911720

IUPAC4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)c(-c3ccccc3S(C)(=O)=O)s2)cc1
InChIInChI=1S/C25H21FN2O3S2/c1-16-7-9-17(10-8-16)15-27-24(29)25-28-22(18-11-13-19(26)14-12-18)23(32-25)20-5-3-4-6-21(20)33(2,30)31/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyPVWJKMAMVULDHM-UHFFFAOYSA-N
MW480.59 g/mol
LogP5.26
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide

4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 22911720) has the molecular formula C25H21FN2O3S2 and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID22911720
Molecular FormulaC25H21FN2O3S2
Molecular Weight480.59 g/mol
Exact Mass480.10
IUPAC Name4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)c(-c3ccccc3S(C)(=O)=O)s2)cc1
InChIInChI=1S/C25H21FN2O3S2/c1-16-7-9-17(10-8-16)15-27-24(29)25-28-22(18-11-13-19(26)14-12-18)23(32-25)20-5-3-4-6-21(20)33(2,30)31/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyPVWJKMAMVULDHM-UHFFFAOYSA-N
XLogP5.26
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22912345
4-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911817
N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide
CID 22912147
4-(4-fluorophenyl)-2-(4-methylphenyl)sulfanyl-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912129
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911850
2-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912110
4-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912370
5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912167
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799910
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22912237
N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane
CID 142982468

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide (CID 22911720) is 4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide is Cc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)c(-c3ccccc3S(C)(=O)=O)s2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is PVWJKMAMVULDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3S2/c1-16-7-9-17(10-8-16)15-27-24(29)25-28-22(18-11-13-19(26)14-12-18)23(32-25)20-5-3-4-6-21(20)33(2,30)31/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of 4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide?
4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22911720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).