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

C8H8N4OS — CID 114824060

IUPAC2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione
SMILESCc1cc(-c2nc(=S)nc(N)[nH]2)co1
InChIInChI=1S/C8H8N4OS/c1-4-2-5(3-13-4)6-10-7(9)12-8(14)11-6/h2-3H,1H3,(H3,9,10,11,12,14)
InChIKeyZPEBPPLKINSYNC-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.68
Rot. Bonds1

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

2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione (PubChem CID 114824060) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione
PubChem CID114824060
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione
SMILESCc1cc(-c2nc(=S)nc(N)[nH]2)co1
InChIInChI=1S/C8H8N4OS/c1-4-2-5(3-13-4)6-10-7(9)12-8(14)11-6/h2-3H,1H3,(H3,9,10,11,12,14)
InChIKeyZPEBPPLKINSYNC-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione (CID 114824060) is 2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione is Cc1cc(-c2nc(=S)nc(N)[nH]2)co1.
What is the InChIKey of 2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione?
The InChIKey is ZPEBPPLKINSYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-4-2-5(3-13-4)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-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(5-methylfuran-3-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-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 114824060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).