4-propan-2-ylthiadiazole-5-carbohydrazide

C6H10N4OS — CID 65204705

IUPAC4-propan-2-ylthiadiazole-5-carbohydrazide
SMILESCC(C)c1nnsc1C(=O)NN
InChIInChI=1S/C6H10N4OS/c1-3(2)4-5(6(11)8-7)12-10-9-4/h3H,7H2,1-2H3,(H,8,11)
InChIKeyHFNZUSJFOARRJS-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.26
Rot. Bonds2

About 4-propan-2-ylthiadiazole-5-carbohydrazide

4-propan-2-ylthiadiazole-5-carbohydrazide (PubChem CID 65204705) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-propan-2-ylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-propan-2-ylthiadiazole-5-carbohydrazide
PubChem CID65204705
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name4-propan-2-ylthiadiazole-5-carbohydrazide
SMILESCC(C)c1nnsc1C(=O)NN
InChIInChI=1S/C6H10N4OS/c1-3(2)4-5(6(11)8-7)12-10-9-4/h3H,7H2,1-2H3,(H,8,11)
InChIKeyHFNZUSJFOARRJS-UHFFFAOYSA-N
XLogP0.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.26
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-propan-2-ylthiadiazole-5-carbohydrazide?
The IUPAC name of 4-propan-2-ylthiadiazole-5-carbohydrazide (CID 65204705) is 4-propan-2-ylthiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-propan-2-ylthiadiazole-5-carbohydrazide?
The canonical SMILES for 4-propan-2-ylthiadiazole-5-carbohydrazide is CC(C)c1nnsc1C(=O)NN.
What is the InChIKey of 4-propan-2-ylthiadiazole-5-carbohydrazide?
The InChIKey is HFNZUSJFOARRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-3(2)4-5(6(11)8-7)12-10-9-4/h3H,7H2,1-2H3,(H,8,11).
What are the key properties of 4-propan-2-ylthiadiazole-5-carbohydrazide?
4-propan-2-ylthiadiazole-5-carbohydrazide has a molecular weight of 186.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 65204705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).