4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

C7H8N6OS2 — CID 80893125

IUPAC4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Sc2nncs2)n1
InChIInChI=1S/C7H8N6OS2/c1-2-14-5-10-4(8)11-6(12-5)16-7-13-9-3-15-7/h3H,2H2,1H3,(H2,8,10,11,12)
InChIKeyZRTXGDSEHRSYDW-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.86
Rot. Bonds4

About 4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80893125) has the molecular formula C7H8N6OS2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80893125
Molecular FormulaC7H8N6OS2
Molecular Weight256.32 g/mol
Exact Mass256.02
IUPAC Name4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Sc2nncs2)n1
InChIInChI=1S/C7H8N6OS2/c1-2-14-5-10-4(8)11-6(12-5)16-7-13-9-3-15-7/h3H,2H2,1H3,(H2,8,10,11,12)
InChIKeyZRTXGDSEHRSYDW-UHFFFAOYSA-N
XLogP0.86
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[4-propoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80931173
4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80892959
4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine
CID 80884039
4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine
CID 80887131
N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80931247
4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887884
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80892017
4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 130656080
4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine
CID 79820066
2-propoxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 63676155
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62859238

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80893125) is 4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Sc2nncs2)n1.
What is the InChIKey of 4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is ZRTXGDSEHRSYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS2/c1-2-14-5-10-4(8)11-6(12-5)16-7-13-9-3-15-7/h3H,2H2,1H3,(H2,8,10,11,12).
What are the key properties of 4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 256.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80893125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).