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

C19H12F6N4O2S — CID 90144233

IUPACN-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cscn2)nc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N4O2S/c20-18(21,22)11-4-12(19(23,24)25)6-13(5-11)28-16(30)3-10-1-2-15(26-7-10)29-17(31)14-8-32-9-27-14/h1-2,4-9H,3H2,(H,28,30)(H,26,29,31)
InChIKeyWNPGKJSXCPQFCU-UHFFFAOYSA-N
MW474.39 g/mol
LogP5.01
Rot. Bonds5

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

N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 90144233) has the molecular formula C19H12F6N4O2S and a molecular weight of 474.39 g/mol. Its IUPAC name is N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID90144233
Molecular FormulaC19H12F6N4O2S
Molecular Weight474.39 g/mol
Exact Mass474.06
IUPAC NameN-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cscn2)nc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N4O2S/c20-18(21,22)11-4-12(19(23,24)25)6-13(5-11)28-16(30)3-10-1-2-15(26-7-10)29-17(31)14-8-32-9-27-14/h1-2,4-9H,3H2,(H,28,30)(H,26,29,31)
InChIKeyWNPGKJSXCPQFCU-UHFFFAOYSA-N
XLogP5.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.39
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-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-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 90144233) is N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Cc1ccc(NC(=O)c2cscn2)nc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WNPGKJSXCPQFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N4O2S/c20-18(21,22)11-4-12(19(23,24)25)6-13(5-11)28-16(30)3-10-1-2-15(26-7-10)29-17(31)14-8-32-9-27-14/h1-2,4-9H,3H2,(H,28,30)(H,26,29,31).
What are the key properties of N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 474.39 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90144233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).