2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

C19H19F3N2O3S — CID 42744948

IUPAC2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1C(C(=O)NCc2cccc(C(F)(F)F)c2)CSC1c1ccoc1
InChIInChI=1S/C19H19F3N2O3S/c1-2-16(25)24-15(11-28-18(24)13-6-7-27-10-13)17(26)23-9-12-4-3-5-14(8-12)19(20,21)22/h3-8,10,15,18H,2,9,11H2,1H3,(H,23,26)
InChIKeyFSGGPEMRQZLCFG-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.97
Rot. Bonds5

About 2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 42744948) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID42744948
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1C(C(=O)NCc2cccc(C(F)(F)F)c2)CSC1c1ccoc1
InChIInChI=1S/C19H19F3N2O3S/c1-2-16(25)24-15(11-28-18(24)13-6-7-27-10-13)17(26)23-9-12-4-3-5-14(8-12)19(20,21)22/h3-8,10,15,18H,2,9,11H2,1H3,(H,23,26)
InChIKeyFSGGPEMRQZLCFG-UHFFFAOYSA-N
XLogP3.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-3-propanoyl-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744950
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
N-(2-fluorophenyl)-2-(furan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 42744943
2-(3-fluorophenyl)-3-propanoyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748564
2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42745284
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42745406
2-(furan-3-yl)-3-propanoyl-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
CID 42744933
(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 93097515
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744985
3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744972
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 159159618

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 42744948) is 2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is CCC(=O)N1C(C(=O)NCc2cccc(C(F)(F)F)c2)CSC1c1ccoc1.
What is the InChIKey of 2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FSGGPEMRQZLCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c1-2-16(25)24-15(11-28-18(24)13-6-7-27-10-13)17(26)23-9-12-4-3-5-14(8-12)19(20,21)22/h3-8,10,15,18H,2,9,11H2,1H3,(H,23,26).
What are the key properties of 2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).