4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

C7H8N6OS2 — CID 80885913

IUPAC4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C7H8N6OS2/c1-3-12-13-7(15-3)16-6-10-4(8)9-5(11-6)14-2/h1-2H3,(H2,8,9,10,11)
InChIKeyHIHMEZVJSZJQGI-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.77
Rot. Bonds3

About 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 80885913) has the molecular formula C7H8N6OS2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID80885913
Molecular FormulaC7H8N6OS2
Molecular Weight256.32 g/mol
Exact Mass256.02
IUPAC Name4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C7H8N6OS2/c1-3-12-13-7(15-3)16-6-10-4(8)9-5(11-6)14-2/h1-2H3,(H2,8,9,10,11)
InChIKeyHIHMEZVJSZJQGI-UHFFFAOYSA-N
XLogP0.77
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 80885913) is 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is COc1nc(N)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is HIHMEZVJSZJQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS2/c1-3-12-13-7(15-3)16-6-10-4(8)9-5(11-6)14-2/h1-2H3,(H2,8,9,10,11).
What are the key properties of 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 256.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).