N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide

C15H19N5O3S — CID 50964020

IUPACN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
SMILESCC(C)N1CC(NC(=O)c2ccc(CSc3ncn[nH]3)o2)CC1=O
InChIInChI=1S/C15H19N5O3S/c1-9(2)20-6-10(5-13(20)21)18-14(22)12-4-3-11(23-12)7-24-15-16-8-17-19-15/h3-4,8-10H,5-7H2,1-2H3,(H,18,22)(H,16,17,19)
InChIKeySJZLJAWFUMAFLA-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.43
Rot. Bonds6

About N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide

N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide (PubChem CID 50964020) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
PubChem CID50964020
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
SMILESCC(C)N1CC(NC(=O)c2ccc(CSc3ncn[nH]3)o2)CC1=O
InChIInChI=1S/C15H19N5O3S/c1-9(2)20-6-10(5-13(20)21)18-14(22)12-4-3-11(23-12)7-24-15-16-8-17-19-15/h3-4,8-10H,5-7H2,1-2H3,(H,18,22)(H,16,17,19)
InChIKeySJZLJAWFUMAFLA-UHFFFAOYSA-N
XLogP1.43
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide (CID 50964020) is N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide is CC(C)N1CC(NC(=O)c2ccc(CSc3ncn[nH]3)o2)CC1=O.
What is the InChIKey of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is SJZLJAWFUMAFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-9(2)20-6-10(5-13(20)21)18-14(22)12-4-3-11(23-12)7-24-15-16-8-17-19-15/h3-4,8-10H,5-7H2,1-2H3,(H,18,22)(H,16,17,19).
What are the key properties of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 50964020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).