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

C24H15F4N3O2S — CID 55765590

IUPACN-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C24H15F4N3O2S/c25-18-9-5-4-8-16(18)21(32)30-15-10-11-19(17(12-15)24(26,27)28)31-22(33)20-13-29-23(34-20)14-6-2-1-3-7-14/h1-13H,(H,30,32)(H,31,33)
InChIKeyZZKIAEBFAHBXFH-UHFFFAOYSA-N
MW485.46 g/mol
LogP6.47
Rot. Bonds5

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

N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55765590) has the molecular formula C24H15F4N3O2S and a molecular weight of 485.46 g/mol. Its IUPAC name is N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55765590
Molecular FormulaC24H15F4N3O2S
Molecular Weight485.46 g/mol
Exact Mass485.08
IUPAC NameN-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C24H15F4N3O2S/c25-18-9-5-4-8-16(18)21(32)30-15-10-11-19(17(12-15)24(26,27)28)31-22(33)20-13-29-23(34-20)14-6-2-1-3-7-14/h1-13H,(H,30,32)(H,31,33)
InChIKeyZZKIAEBFAHBXFH-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-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55764325
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 52638821
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 112831169
2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765716
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[4-[[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765591
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765741
N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765550
N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765297

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 55765590) is N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZZKIAEBFAHBXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4N3O2S/c25-18-9-5-4-8-16(18)21(32)30-15-10-11-19(17(12-15)24(26,27)28)31-22(33)20-13-29-23(34-20)14-6-2-1-3-7-14/h1-13H,(H,30,32)(H,31,33).
What are the key properties of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[4-[(2-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-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55765590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).