4-ethylthiadiazole-5-carbohydrazide

C5H8N4OS — CID 60664936

IUPAC4-ethylthiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NN
InChIInChI=1S/C5H8N4OS/c1-2-3-4(5(10)7-6)11-9-8-3/h2,6H2,1H3,(H,7,10)
InChIKeyXMQQTJHBRXMKQN-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.30
Rot. Bonds2

About 4-ethylthiadiazole-5-carbohydrazide

4-ethylthiadiazole-5-carbohydrazide (PubChem CID 60664936) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-ethylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-ethylthiadiazole-5-carbohydrazide
PubChem CID60664936
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name4-ethylthiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NN
InChIInChI=1S/C5H8N4OS/c1-2-3-4(5(10)7-6)11-9-8-3/h2,6H2,1H3,(H,7,10)
InChIKeyXMQQTJHBRXMKQN-UHFFFAOYSA-N
XLogP-0.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-ethylthiadiazole-5-carbohydrazide?
The IUPAC name of 4-ethylthiadiazole-5-carbohydrazide (CID 60664936) is 4-ethylthiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-ethylthiadiazole-5-carbohydrazide?
The canonical SMILES for 4-ethylthiadiazole-5-carbohydrazide is CCc1nnsc1C(=O)NN.
What is the InChIKey of 4-ethylthiadiazole-5-carbohydrazide?
The InChIKey is XMQQTJHBRXMKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c1-2-3-4(5(10)7-6)11-9-8-3/h2,6H2,1H3,(H,7,10).
What are the key properties of 4-ethylthiadiazole-5-carbohydrazide?
4-ethylthiadiazole-5-carbohydrazide has a molecular weight of 172.21 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 60664936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).