4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine

C7H8N6S2 — CID 83083788

IUPAC4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2snnc2C)n1
InChIInChI=1S/C7H8N6S2/c1-3-4(15-13-12-3)5-9-6(8)11-7(10-5)14-2/h1-2H3,(H2,8,9,10,11)
InChIKeyCOVILKQYXPFERJ-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.00
Rot. Bonds2

About 4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine (PubChem CID 83083788) has the molecular formula C7H8N6S2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine
PubChem CID83083788
Molecular FormulaC7H8N6S2
Molecular Weight240.32 g/mol
Exact Mass240.03
IUPAC Name4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2snnc2C)n1
InChIInChI=1S/C7H8N6S2/c1-3-4(15-13-12-3)5-9-6(8)11-7(10-5)14-2/h1-2H3,(H2,8,9,10,11)
InChIKeyCOVILKQYXPFERJ-UHFFFAOYSA-N
XLogP1.00
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine (CID 83083788) is 4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2snnc2C)n1.
What is the InChIKey of 4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine?
The InChIKey is COVILKQYXPFERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S2/c1-3-4(15-13-12-3)5-9-6(8)11-7(10-5)14-2/h1-2H3,(H2,8,9,10,11).
What are the key properties of 4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine has a molecular weight of 240.32 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).