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

C15H22N2O3S — CID 42744974

IUPAC3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(C(=O)NC(C)C(C)C)CSC1c1ccoc1
InChIInChI=1S/C15H22N2O3S/c1-9(2)10(3)16-14(19)13-8-21-15(17(13)11(4)18)12-5-6-20-7-12/h5-7,9-10,13,15H,8H2,1-4H3,(H,16,19)
InChIKeyHDIRINBEUOKPDH-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.40
Rot. Bonds4

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

3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744974) 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-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744974
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(C(=O)NC(C)C(C)C)CSC1c1ccoc1
InChIInChI=1S/C15H22N2O3S/c1-9(2)10(3)16-14(19)13-8-21-15(17(13)11(4)18)12-5-6-20-7-12/h5-7,9-10,13,15H,8H2,1-4H3,(H,16,19)
InChIKeyHDIRINBEUOKPDH-UHFFFAOYSA-N
XLogP2.40
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42745146
3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744972
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
3-acetyl-2-(furan-3-yl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744965
N-butan-2-yl-2-(furan-3-yl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42745033
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 3939901
3-benzoyl-2-(furan-3-yl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745107
[(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium
CID 7356720
2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 5033600
(2R,4R)-3-benzoyl-2-(3-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7362198
(2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 1062714
N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749369

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 42744974) is 3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1C(C(=O)NC(C)C(C)C)CSC1c1ccoc1.
What is the InChIKey of 3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HDIRINBEUOKPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-9(2)10(3)16-14(19)13-8-21-15(17(13)11(4)18)12-5-6-20-7-12/h5-7,9-10,13,15H,8H2,1-4H3,(H,16,19).
What are the key properties of 3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.40, 4 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-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).