2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide

C14H19N5O3S — CID 25162203

IUPAC2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(Sc1nnc(-c2ccco2)n1N)C(=O)NCC1CCCO1
InChIInChI=1S/C14H19N5O3S/c1-9(13(20)16-8-10-4-2-6-21-10)23-14-18-17-12(19(14)15)11-5-3-7-22-11/h3,5,7,9-10H,2,4,6,8,15H2,1H3,(H,16,20)
InChIKeyWZKMTNPCMJUFTI-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.03
Rot. Bonds6

About 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 25162203) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID25162203
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(Sc1nnc(-c2ccco2)n1N)C(=O)NCC1CCCO1
InChIInChI=1S/C14H19N5O3S/c1-9(13(20)16-8-10-4-2-6-21-10)23-14-18-17-12(19(14)15)11-5-3-7-22-11/h3,5,7,9-10H,2,4,6,8,15H2,1H3,(H,16,20)
InChIKeyWZKMTNPCMJUFTI-UHFFFAOYSA-N
XLogP1.03
TPSA108.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide (CID 25162203) is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide is CC(Sc1nnc(-c2ccco2)n1N)C(=O)NCC1CCCO1.
What is the InChIKey of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is WZKMTNPCMJUFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-9(13(20)16-8-10-4-2-6-21-10)23-14-18-17-12(19(14)15)11-5-3-7-22-11/h3,5,7,9-10H,2,4,6,8,15H2,1H3,(H,16,20).
What are the key properties of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide?
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 337.41 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 25162203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).