N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C19H16F3N3O3S — CID 26927547

IUPACN-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C19H16F3N3O3S/c1-25(10-12-4-6-13(7-5-12)19(20,21)22)16(26)9-14-11-29-18(23-14)24-17(27)15-3-2-8-28-15/h2-8,11H,9-10H2,1H3,(H,23,24,27)
InChIKeyFFLGAULOMDWEOO-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.21
Rot. Bonds6

About N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 26927547) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID26927547
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC NameN-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C19H16F3N3O3S/c1-25(10-12-4-6-13(7-5-12)19(20,21)22)16(26)9-14-11-29-18(23-14)24-17(27)15-3-2-8-28-15/h2-8,11H,9-10H2,1H3,(H,23,24,27)
InChIKeyFFLGAULOMDWEOO-UHFFFAOYSA-N
XLogP4.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927396
N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27886628
N-[4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27163763
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46483651
N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 47868198
N-[4-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42918160
N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55371992
N-[4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17439699
2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55719710
N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55888004
N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162495

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 26927547) is N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1csc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is FFLGAULOMDWEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c1-25(10-12-4-6-13(7-5-12)19(20,21)22)16(26)9-14-11-29-18(23-14)24-17(27)15-3-2-8-28-15/h2-8,11H,9-10H2,1H3,(H,23,24,27).
What are the key properties of N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 26927547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).