2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione

C8H8N4OS — CID 83241878

IUPAC2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione
SMILESCc1ccoc1-c1nc(=S)nc(N)[nH]1
InChIInChI=1S/C8H8N4OS/c1-4-2-3-13-5(4)6-10-7(9)12-8(14)11-6/h2-3H,1H3,(H3,9,10,11,12,14)
InChIKeyAXCGNOBNYMJVGS-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.68
Rot. Bonds1

About 2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione

2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione (PubChem CID 83241878) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione
PubChem CID83241878
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione
SMILESCc1ccoc1-c1nc(=S)nc(N)[nH]1
InChIInChI=1S/C8H8N4OS/c1-4-2-3-13-5(4)6-10-7(9)12-8(14)11-6/h2-3H,1H3,(H3,9,10,11,12,14)
InChIKeyAXCGNOBNYMJVGS-UHFFFAOYSA-N
XLogP1.68
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione 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-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione (CID 83241878) is 2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione is Cc1ccoc1-c1nc(=S)nc(N)[nH]1.
What is the InChIKey of 2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione?
The InChIKey is AXCGNOBNYMJVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-4-2-3-13-5(4)6-10-7(9)12-8(14)11-6/h2-3H,1H3,(H3,9,10,11,12,14).
What are the key properties of 2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione has a molecular weight of 208.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methylfuran-2-yl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83241878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).