3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide

C17H18N2O3S — CID 42744957

IUPAC3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(C(=O)NCc2ccccc2)CSC1c1ccoc1
InChIInChI=1S/C17H18N2O3S/c1-12(20)19-15(11-23-17(19)14-7-8-22-10-14)16(21)18-9-13-5-3-2-4-6-13/h2-8,10,15,17H,9,11H2,1H3,(H,18,21)
InChIKeyNLRNXXMKGZHSTG-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.56
Rot. Bonds4

About 3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide

3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744957) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744957
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(C(=O)NCc2ccccc2)CSC1c1ccoc1
InChIInChI=1S/C17H18N2O3S/c1-12(20)19-15(11-23-17(19)14-7-8-22-10-14)16(21)18-9-13-5-3-2-4-6-13/h2-8,10,15,17H,9,11H2,1H3,(H,18,21)
InChIKeyNLRNXXMKGZHSTG-UHFFFAOYSA-N
XLogP2.56
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744972
3-acetyl-2-(furan-3-yl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744965
(2R,4S)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323795
(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323796
3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42744974
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200
3-benzoyl-2-(furan-3-yl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745107
2-(furan-3-yl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42744948
2-(furan-3-yl)-3-propanoyl-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744950
(2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323787
N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-carbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745075
3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744985

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide (CID 42744957) is 3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1C(C(=O)NCc2ccccc2)CSC1c1ccoc1.
What is the InChIKey of 3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NLRNXXMKGZHSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(20)19-15(11-23-17(19)14-7-8-22-10-14)16(21)18-9-13-5-3-2-4-6-13/h2-8,10,15,17H,9,11H2,1H3,(H,18,21).
What are the key properties of 3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).