5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide

C12H16N4O2S — CID 91782125

IUPAC5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NCCc2ncnn2C)o1
InChIInChI=1S/C12H16N4O2S/c1-16-11(14-8-15-16)5-6-13-12(17)10-4-3-9(18-10)7-19-2/h3-4,8H,5-7H2,1-2H3,(H,13,17)
InChIKeyIDUOHZBKIHUOIF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.24
Rot. Bonds6

About 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide

5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 91782125) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide
PubChem CID91782125
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NCCc2ncnn2C)o1
InChIInChI=1S/C12H16N4O2S/c1-16-11(14-8-15-16)5-6-13-12(17)10-4-3-9(18-10)7-19-2/h3-4,8H,5-7H2,1-2H3,(H,13,17)
InChIKeyIDUOHZBKIHUOIF-UHFFFAOYSA-N
XLogP1.24
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide (CID 91782125) is 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide is CSCc1ccc(C(=O)NCCc2ncnn2C)o1.
What is the InChIKey of 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is IDUOHZBKIHUOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-11(14-8-15-16)5-6-13-12(17)10-4-3-9(18-10)7-19-2/h3-4,8H,5-7H2,1-2H3,(H,13,17).
What are the key properties of 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide?
5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 91782125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).