2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide

C13H13F3N2O3S — CID 95616913

IUPAC2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](COCC(F)(F)F)NC(=O)c1csc(-c2ccoc2)n1
InChIInChI=1S/C13H13F3N2O3S/c1-8(4-21-7-13(14,15)16)17-11(19)10-6-22-12(18-10)9-2-3-20-5-9/h2-3,5-6,8H,4,7H2,1H3,(H,17,19)/t8-/m1/s1
InChIKeyALBHFAFDBDAUHS-MRVPVSSYSA-N
MW334.32 g/mol
LogP3.10
Rot. Bonds6

About 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide

2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 95616913) has the molecular formula C13H13F3N2O3S and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID95616913
Molecular FormulaC13H13F3N2O3S
Molecular Weight334.32 g/mol
Exact Mass334.06
IUPAC Name2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](COCC(F)(F)F)NC(=O)c1csc(-c2ccoc2)n1
InChIInChI=1S/C13H13F3N2O3S/c1-8(4-21-7-13(14,15)16)17-11(19)10-6-22-12(18-10)9-2-3-20-5-9/h2-3,5-6,8H,4,7H2,1H3,(H,17,19)/t8-/m1/s1
InChIKeyALBHFAFDBDAUHS-MRVPVSSYSA-N
XLogP3.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119363475
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-2,3-dimethylbutanoic acid
CID 97337419
2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253767
2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811820
5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 49029259
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
5-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
CID 119182927
2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543370
2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119514774
2-methylsulfanylethyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate
CID 71987403
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484065
2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111484969

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 95616913) is 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide is C[C@H](COCC(F)(F)F)NC(=O)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ALBHFAFDBDAUHS-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S/c1-8(4-21-7-13(14,15)16)17-11(19)10-6-22-12(18-10)9-2-3-20-5-9/h2-3,5-6,8H,4,7H2,1H3,(H,17,19)/t8-/m1/s1.
What are the key properties of 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide?
2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 334.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95616913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).