ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate

C6H10N4OS — CID 5362995

IUPACethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate
SMILESCCO/C(=N/N)c1nc(C)ns1
InChIInChI=1S/C6H10N4OS/c1-3-11-5(9-7)6-8-4(2)10-12-6/h3,7H2,1-2H3/b9-5+
InChIKeyFXHQGPIPBQRHAI-WEVVVXLNSA-N
MW186.24 g/mol
LogP0.50
Rot. Bonds2

About ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate

ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate (PubChem CID 5362995) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate.

Molecular Properties

Compound Nameethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate
PubChem CID5362995
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Nameethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate
SMILESCCO/C(=N/N)c1nc(C)ns1
InChIInChI=1S/C6H10N4OS/c1-3-11-5(9-7)6-8-4(2)10-12-6/h3,7H2,1-2H3/b9-5+
InChIKeyFXHQGPIPBQRHAI-WEVVVXLNSA-N
XLogP0.50
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate?
The IUPAC name of ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate (CID 5362995) is ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate.
What is the SMILES notation for ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate?
The canonical SMILES for ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate is CCO/C(=N/N)c1nc(C)ns1.
What is the InChIKey of ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate?
The InChIKey is FXHQGPIPBQRHAI-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-3-11-5(9-7)6-8-4(2)10-12-6/h3,7H2,1-2H3/b9-5+.
What are the key properties of ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate?
ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate has a molecular weight of 186.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate is sourced from PubChem (CID 5362995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).