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

C18H22N2O3S2 — CID 5033600

IUPAC2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CSC(c2ccoc2)N1C(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S2/c1-12(2)5-7-19-16(21)14-11-25-18(13-6-8-23-10-13)20(14)17(22)15-4-3-9-24-15/h3-4,6,8-10,12,14,18H,5,7,11H2,1-2H3,(H,19,21)
InChIKeyJHILWHBQUQGMPN-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.76
Rot. Bonds6

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

2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 5033600) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID5033600
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CSC(c2ccoc2)N1C(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S2/c1-12(2)5-7-19-16(21)14-11-25-18(13-6-8-23-10-13)20(14)17(22)15-4-3-9-24-15/h3-4,6,8-10,12,14,18H,5,7,11H2,1-2H3,(H,19,21)
InChIKeyJHILWHBQUQGMPN-UHFFFAOYSA-N
XLogP3.76
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-(furan-3-yl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42745033
3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744972
2-(furan-3-yl)-N-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42745041
3-benzoyl-2-(furan-3-yl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745107
2-(furan-3-yl)-N-(2-methoxyethyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745217
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695
N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749372
3-benzoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748298
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
(2S,4R)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7419346
3-acetyl-2-(furan-3-yl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744965
N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 42744403

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 5033600) is 2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is CC(C)CCNC(=O)C1CSC(c2ccoc2)N1C(=O)c1cccs1.
What is the InChIKey of 2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JHILWHBQUQGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-12(2)5-7-19-16(21)14-11-25-18(13-6-8-23-10-13)20(14)17(22)15-4-3-9-24-15/h3-4,6,8-10,12,14,18H,5,7,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.76, 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-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 5033600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).