N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C17H26N2O3S — CID 42748082

IUPACN-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NCc2ccco2)N1C(=O)C(C)C
InChIInChI=1S/C17H26N2O3S/c1-11(2)8-15-19(17(21)12(3)4)14(10-23-15)16(20)18-9-13-6-5-7-22-13/h5-7,11-12,14-15H,8-10H2,1-4H3,(H,18,20)
InChIKeyMXWTYCJOUISERW-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.87
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748082) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748082
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NCc2ccco2)N1C(=O)C(C)C
InChIInChI=1S/C17H26N2O3S/c1-11(2)8-15-19(17(21)12(3)4)14(10-23-15)16(20)18-9-13-6-5-7-22-13/h5-7,11-12,14-15H,8-10H2,1-4H3,(H,18,20)
InChIKeyMXWTYCJOUISERW-UHFFFAOYSA-N
XLogP2.87
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744889
N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744888
2-ethyl-N-(furan-2-ylmethyl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749230
N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748095
N-tert-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744887
3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748568
3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744985
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4002807
3-(4-chlorobenzoyl)-2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744137
N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
CID 111123272
N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide
CID 42744735
(3R,9bR)-N-(furan-2-ylmethyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7174917

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42748082) is N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CC(C)CC1SCC(C(=O)NCc2ccco2)N1C(=O)C(C)C.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MXWTYCJOUISERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-11(2)8-15-19(17(21)12(3)4)14(10-23-15)16(20)18-9-13-6-5-7-22-13/h5-7,11-12,14-15H,8-10H2,1-4H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).