N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide

C19H17F3N4O3S — CID 42813628

IUPACN-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)C(=O)NCc1ccco1
InChIInChI=1S/C19H17F3N4O3S/c1-11(16(27)23-9-14-6-3-7-29-14)24-17(28)15-10-30-18(26-15)25-13-5-2-4-12(8-13)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyIMRQODIBBVQJAA-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.93
Rot. Bonds7

About N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide

N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide (PubChem CID 42813628) has the molecular formula C19H17F3N4O3S and a molecular weight of 438.43 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
PubChem CID42813628
Molecular FormulaC19H17F3N4O3S
Molecular Weight438.43 g/mol
Exact Mass438.10
IUPAC NameN-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)C(=O)NCc1ccco1
InChIInChI=1S/C19H17F3N4O3S/c1-11(16(27)23-9-14-6-3-7-29-14)24-17(28)15-10-30-18(26-15)25-13-5-2-4-12(8-13)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyIMRQODIBBVQJAA-UHFFFAOYSA-N
XLogP3.93
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 42813263
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 46136331
N-[[5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978592
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-methyl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30859922
N-benzyl-N-[3-(2-methylpropylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 42813259
2-(furan-2-yl)-N'-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 55554329
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813573
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 93305053
2-(2-anilino-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377722
2-[4-[[furan-2-ylmethyl-[[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]methyl]amino]methyl]phenyl]sulfanyl-2-methylpropanoic acid
CID 59823740
(2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 93305258

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide (CID 42813628) is N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)C(=O)NCc1ccco1.
What is the InChIKey of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide?
The InChIKey is IMRQODIBBVQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S/c1-11(16(27)23-9-14-6-3-7-29-14)24-17(28)15-10-30-18(26-15)25-13-5-2-4-12(8-13)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide?
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).