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

C14H20N2O3S — CID 42744735

IUPACN-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCC(=O)N1CSCC1C(=O)NCc1ccco1
InChIInChI=1S/C14H20N2O3S/c1-2-3-6-13(17)16-10-20-9-12(16)14(18)15-8-11-5-4-7-19-11/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,15,18)
InChIKeyZCTIZWWRJDQNJT-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.99
Rot. Bonds6

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

N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide (PubChem CID 42744735) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide
PubChem CID42744735
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCC(=O)N1CSCC1C(=O)NCc1ccco1
InChIInChI=1S/C14H20N2O3S/c1-2-3-6-13(17)16-10-20-9-12(16)14(18)15-8-11-5-4-7-19-11/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,15,18)
InChIKeyZCTIZWWRJDQNJT-UHFFFAOYSA-N
XLogP1.99
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide
CID 95737503
3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 75384637
1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109134849
3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119536892
3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748568
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229835
N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748082
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
CID 119227531
1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109134850
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide (CID 42744735) is N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide is CCCCC(=O)N1CSCC1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZCTIZWWRJDQNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-3-6-13(17)16-10-20-9-12(16)14(18)15-8-11-5-4-7-19-11/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.99, 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-pentanoyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).