N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine

C9H10N8OS2 — CID 16582461

IUPACN-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(Sc2ccc3nnnn3n2)s1
InChIInChI=1S/C9H10N8OS2/c1-18-5-4-10-8-12-13-9(20-8)19-7-3-2-6-11-15-16-17(6)14-7/h2-3H,4-5H2,1H3,(H,10,12)
InChIKeyUASKOOFSDGDREG-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.58
Rot. Bonds6

About N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine

N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 16582461) has the molecular formula C9H10N8OS2 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID16582461
Molecular FormulaC9H10N8OS2
Molecular Weight310.37 g/mol
Exact Mass310.04
IUPAC NameN-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(Sc2ccc3nnnn3n2)s1
InChIInChI=1S/C9H10N8OS2/c1-18-5-4-10-8-12-13-9(20-8)19-7-3-2-6-11-15-16-17(6)14-7/h2-3H,4-5H2,1H3,(H,10,12)
InChIKeyUASKOOFSDGDREG-UHFFFAOYSA-N
XLogP0.58
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 16582461) is N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine is COCCNc1nnc(Sc2ccc3nnnn3n2)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UASKOOFSDGDREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N8OS2/c1-18-5-4-10-8-12-13-9(20-8)19-7-3-2-6-11-15-16-17(6)14-7/h2-3H,4-5H2,1H3,(H,10,12).
What are the key properties of N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 310.37 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 16582461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).