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

C14H19N5O2S — CID 4852585

IUPAC2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
SMILESNn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccco1
InChIInChI=1S/C14H19N5O2S/c15-19-13(11-7-4-8-21-11)17-18-14(19)22-9-12(20)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,15H2,(H,16,20)
InChIKeyBEPXSNSHXLSWDO-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.79
Rot. Bonds5

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

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide (PubChem CID 4852585) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
PubChem CID4852585
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
SMILESNn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccco1
InChIInChI=1S/C14H19N5O2S/c15-19-13(11-7-4-8-21-11)17-18-14(19)22-9-12(20)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,15H2,(H,16,20)
InChIKeyBEPXSNSHXLSWDO-UHFFFAOYSA-N
XLogP1.79
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-cyclohexylacetamide?
The IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide (CID 4852585) is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide is Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccco1.
What is the InChIKey of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide?
The InChIKey is BEPXSNSHXLSWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c15-19-13(11-7-4-8-21-11)17-18-14(19)22-9-12(20)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,15H2,(H,16,20).
What are the key properties of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide?
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide has a molecular weight of 321.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-cyclohexylacetamide is sourced from PubChem (CID 4852585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).