3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

C17H18N2O4S — CID 42744985

IUPAC3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CSC(c2ccoc2)N1C(=O)C1CC1
InChIInChI=1S/C17H18N2O4S/c20-15(18-8-13-2-1-6-23-13)14-10-24-17(12-5-7-22-9-12)19(14)16(21)11-3-4-11/h1-2,5-7,9,11,14,17H,3-4,8,10H2,(H,18,20)
InChIKeyLMPIHKAGUVHHGY-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.54
Rot. Bonds5

About 3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744985) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744985
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CSC(c2ccoc2)N1C(=O)C1CC1
InChIInChI=1S/C17H18N2O4S/c20-15(18-8-13-2-1-6-23-13)14-10-24-17(12-5-7-22-9-12)19(14)16(21)11-3-4-11/h1-2,5-7,9,11,14,17H,3-4,8,10H2,(H,18,20)
InChIKeyLMPIHKAGUVHHGY-UHFFFAOYSA-N
XLogP2.54
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809599
N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745001
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 5164610
2-(furan-3-yl)-3-propanoyl-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744950
N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-carbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745075
3-(4-chlorobenzoyl)-2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744137
3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748568
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4002807
(3R)-N-(furan-2-ylmethyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 665466
(3R,9bR)-N-(furan-2-ylmethyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7174917
3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744972

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 42744985) is 3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccco1)C1CSC(c2ccoc2)N1C(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is LMPIHKAGUVHHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-15(18-8-13-2-1-6-23-13)14-10-24-17(12-5-7-22-9-12)19(14)16(21)11-3-4-11/h1-2,5-7,9,11,14,17H,3-4,8,10H2,(H,18,20).
What are the key properties of 3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).