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

C15H22N2O3S — CID 42744972

IUPAC3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(C(=O)NCCC(C)C)CSC1c1ccoc1
InChIInChI=1S/C15H22N2O3S/c1-10(2)4-6-16-14(19)13-9-21-15(17(13)11(3)18)12-5-7-20-8-12/h5,7-8,10,13,15H,4,6,9H2,1-3H3,(H,16,19)
InChIKeyPPXWSSCZKJBIHO-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.40
Rot. Bonds5

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

3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744972) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744972
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(C(=O)NCCC(C)C)CSC1c1ccoc1
InChIInChI=1S/C15H22N2O3S/c1-10(2)4-6-16-14(19)13-9-21-15(17(13)11(3)18)12-5-7-20-8-12/h5,7-8,10,13,15H,4,6,9H2,1-3H3,(H,16,19)
InChIKeyPPXWSSCZKJBIHO-UHFFFAOYSA-N
XLogP2.40
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 5033600
3-acetyl-2-(furan-3-yl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744965
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42744974
3-acetyl-2-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744705
3-benzoyl-2-(furan-3-yl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745107
N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 42744403
2-(furan-3-yl)-N-(2-methoxyethyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745217
(2S,4R)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7419346
N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749372
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
CID 42745149

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide (CID 42744972) is 3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1C(C(=O)NCCC(C)C)CSC1c1ccoc1.
What is the InChIKey of 3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is PPXWSSCZKJBIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(2)4-6-16-14(19)13-9-21-15(17(13)11(3)18)12-5-7-20-8-12/h5,7-8,10,13,15H,4,6,9H2,1-3H3,(H,16,19).
What are the key properties of 3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).