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

C17H12F3N3OS — CID 117079521

IUPACN-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-8-13(9-7-11)23-16-21-10-14(25-16)15(24)22-12-4-2-1-3-5-12/h1-10H,(H,21,23)(H,22,24)
InChIKeyQMTGDCZLKCIRTI-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.16
Rot. Bonds4

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

N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 117079521) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID117079521
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC NameN-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-8-13(9-7-11)23-16-21-10-14(25-16)15(24)22-12-4-2-1-3-5-12/h1-10H,(H,21,23)(H,22,24)
InChIKeyQMTGDCZLKCIRTI-UHFFFAOYSA-N
XLogP5.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.36
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (CID 117079521) is N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is O=C(Nc1ccccc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is QMTGDCZLKCIRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-8-13(9-7-11)23-16-21-10-14(25-16)15(24)22-12-4-2-1-3-5-12/h1-10H,(H,21,23)(H,22,24).
What are the key properties of N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117079521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).