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

C8H11N7OS2 — CID 80923362

IUPAC[4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C8H11N7OS2/c1-3-16-6-10-5(13-9)11-7(12-6)18-8-15-14-4(2)17-8/h3,9H2,1-2H3,(H,10,11,12,13)
InChIKeyVJSCMEGFZGYBLU-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.87
Rot. Bonds5

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

[4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80923362) has the molecular formula C8H11N7OS2 and a molecular weight of 285.36 g/mol. Its IUPAC name is [4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine
PubChem CID80923362
Molecular FormulaC8H11N7OS2
Molecular Weight285.36 g/mol
Exact Mass285.05
IUPAC Name[4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C8H11N7OS2/c1-3-16-6-10-5(13-9)11-7(12-6)18-8-15-14-4(2)17-8/h3,9H2,1-2H3,(H,10,11,12,13)
InChIKeyVJSCMEGFZGYBLU-UHFFFAOYSA-N
XLogP0.87
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62859238
2-[(4-Chloro-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62866872
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80885638
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80885718
4-ethoxy-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80885811
4-Methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80885913
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80886000
4-Ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80886003
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80886274
[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80922768
4-hydrazinyl-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80923103
[4-Methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine
CID 80923360

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine (CID 80923362) is [4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of [4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is VJSCMEGFZGYBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7OS2/c1-3-16-6-10-5(13-9)11-7(12-6)18-8-15-14-4(2)17-8/h3,9H2,1-2H3,(H,10,11,12,13).
What are the key properties of [4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine?
[4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 285.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80923362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).