N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C19H16F3N3O3S — CID 26927396

IUPACN-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccco2)n1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)13-5-3-12(4-6-13)7-8-23-16(26)10-14-11-29-18(24-14)25-17(27)15-2-1-9-28-15/h1-6,9,11H,7-8,10H2,(H,23,26)(H,24,25,27)
InChIKeyLQEZANVHUHQZAA-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.91
Rot. Bonds7

About N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 26927396) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID26927396
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC NameN-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccco2)n1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)13-5-3-12(4-6-13)7-8-23-16(26)10-14-11-29-18(24-14)25-17(27)15-2-1-9-28-15/h1-6,9,11H,7-8,10H2,(H,23,26)(H,24,25,27)
InChIKeyLQEZANVHUHQZAA-UHFFFAOYSA-N
XLogP3.91
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17431209
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27538589
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927547
N-[4-[2-oxo-2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 86896401
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30253728
N-[4-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17416159
N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 39192369
N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41230385
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-[4-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27166693
N-[4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17439699

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 26927396) is N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccco2)n1)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is LQEZANVHUHQZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c20-19(21,22)13-5-3-12(4-6-13)7-8-23-16(26)10-14-11-29-18(24-14)25-17(27)15-2-1-9-28-15/h1-6,9,11H,7-8,10H2,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 26927396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).