N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

C24H15F4N3O2S — CID 55764325

IUPACN-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)c(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C24H15F4N3O2S/c25-16-8-6-14(7-9-16)21(32)30-17-10-11-19(18(12-17)24(26,27)28)31-22(33)20-13-29-23(34-20)15-4-2-1-3-5-15/h1-13H,(H,30,32)(H,31,33)
InChIKeyFCMJSOKTLSHVRW-UHFFFAOYSA-N
MW485.46 g/mol
LogP6.47
Rot. Bonds5

About N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55764325) has the molecular formula C24H15F4N3O2S and a molecular weight of 485.46 g/mol. Its IUPAC name is N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55764325
Molecular FormulaC24H15F4N3O2S
Molecular Weight485.46 g/mol
Exact Mass485.08
IUPAC NameN-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)c(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C24H15F4N3O2S/c25-16-8-6-14(7-9-16)21(32)30-17-10-11-19(18(12-17)24(26,27)28)31-22(33)20-13-29-23(34-20)15-4-2-1-3-5-15/h1-13H,(H,30,32)(H,31,33)
InChIKeyFCMJSOKTLSHVRW-UHFFFAOYSA-N
XLogP6.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.46
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55765590
N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 52598903
3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55699331
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 112831204
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 55764258
methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 99704090
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 78885374
2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 55764324
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carboxamide
CID 55820000

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 55764325) is N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)c(C(F)(F)F)c1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is FCMJSOKTLSHVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4N3O2S/c25-16-8-6-14(7-9-16)21(32)30-17-10-11-19(18(12-17)24(26,27)28)31-22(33)20-13-29-23(34-20)15-4-2-1-3-5-15/h1-13H,(H,30,32)(H,31,33).
What are the key properties of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 485.46 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55764325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).