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

C9H14N8OS2 — CID 80930814

IUPAC5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCOc1nc(NN)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C9H14N8OS2/c1-4-18-6-11-5(14-10)12-7(13-6)19-9-16-15-8(20-9)17(2)3/h4,10H2,1-3H3,(H,11,12,13,14)
InChIKeyZBSQSVBTZZIQGI-UHFFFAOYSA-N
MW314.40 g/mol
LogP0.62
Rot. Bonds6

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

5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80930814) has the molecular formula C9H14N8OS2 and a molecular weight of 314.40 g/mol. Its IUPAC name is 5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80930814
Molecular FormulaC9H14N8OS2
Molecular Weight314.40 g/mol
Exact Mass314.07
IUPAC Name5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCOc1nc(NN)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C9H14N8OS2/c1-4-18-6-11-5(14-10)12-7(13-6)19-9-16-15-8(20-9)17(2)3/h4,10H2,1-3H3,(H,11,12,13,14)
InChIKeyZBSQSVBTZZIQGI-UHFFFAOYSA-N
XLogP0.62
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

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CID 80881526
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CID 80882019
CID 80882019
CID 80882302
CID 80882302
CID 80882638
CID 80882638
CID 80882837
CID 80882837
CID 80883745
CID 80883745
CID 80883839
CID 80883839
CID 80920790
CID 80920790
CID 80921039
CID 80921039
CID 80921255
CID 80921255

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80930814) is 5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCOc1nc(NN)nc(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZBSQSVBTZZIQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8OS2/c1-4-18-6-11-5(14-10)12-7(13-6)19-9-16-15-8(20-9)17(2)3/h4,10H2,1-3H3,(H,11,12,13,14).
What are the key properties of 5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 314.40 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80930814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).