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

C8H10N6OS3 — CID 113298952

IUPAC4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Sc2nnc(SC)s2)n1
InChIInChI=1S/C8H10N6OS3/c1-3-15-5-10-4(9)11-6(12-5)17-8-14-13-7(16-2)18-8/h3H2,1-2H3,(H2,9,10,11,12)
InChIKeyWGDUXUALIQUABL-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.58
Rot. Bonds5

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

4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 113298952) has the molecular formula C8H10N6OS3 and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID113298952
Molecular FormulaC8H10N6OS3
Molecular Weight302.41 g/mol
Exact Mass302.01
IUPAC Name4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Sc2nnc(SC)s2)n1
InChIInChI=1S/C8H10N6OS3/c1-3-15-5-10-4(9)11-6(12-5)17-8-14-13-7(16-2)18-8/h3H2,1-2H3,(H2,9,10,11,12)
InChIKeyWGDUXUALIQUABL-UHFFFAOYSA-N
XLogP1.58
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 113298952) is 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Sc2nnc(SC)s2)n1.
What is the InChIKey of 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is WGDUXUALIQUABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS3/c1-3-15-5-10-4(9)11-6(12-5)17-8-14-13-7(16-2)18-8/h3H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 302.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 113298952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).