2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C15H16N10OS — CID 11222837

IUPAC2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3csnn3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C15H16N10OS/c16-13-18-14(19-15-17-12(21-25(13)15)11-2-1-7-26-11)24-5-3-23(4-6-24)8-10-9-27-22-20-10/h1-2,7,9H,3-6,8H2,(H2,16,17,18,19,21)
InChIKeyRJORFDZLKBGWOF-UHFFFAOYSA-N
MW384.43 g/mol
LogP0.54
Rot. Bonds4

About 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11222837) has the molecular formula C15H16N10OS and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11222837
Molecular FormulaC15H16N10OS
Molecular Weight384.43 g/mol
Exact Mass384.12
IUPAC Name2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3csnn3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C15H16N10OS/c16-13-18-14(19-15-17-12(21-25(13)15)11-2-1-7-26-11)24-5-3-23(4-6-24)8-10-9-27-22-20-10/h1-2,7,9H,3-6,8H2,(H2,16,17,18,19,21)
InChIKeyRJORFDZLKBGWOF-UHFFFAOYSA-N
XLogP0.54
TPSA127.39 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine 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 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11222837) is 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CCN(Cc3csnn3)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is RJORFDZLKBGWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N10OS/c16-13-18-14(19-15-17-12(21-25(13)15)11-2-1-7-26-11)24-5-3-23(4-6-24)8-10-9-27-22-20-10/h1-2,7,9H,3-6,8H2,(H2,16,17,18,19,21).
What are the key properties of 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 384.43 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11222837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).