3-methyl-2-methylsulfanylimidazole-4-carbohydrazide

C6H10N4OS — CID 2821732

IUPAC3-methyl-2-methylsulfanylimidazole-4-carbohydrazide
SMILESCSc1ncc(C(=O)NN)n1C
InChIInChI=1S/C6H10N4OS/c1-10-4(5(11)9-7)3-8-6(10)12-2/h3H,7H2,1-2H3,(H,9,11)
InChIKeyNSNZNXCXOFJFDT-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.25
Rot. Bonds2

About 3-methyl-2-methylsulfanylimidazole-4-carbohydrazide

3-methyl-2-methylsulfanylimidazole-4-carbohydrazide (PubChem CID 2821732) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanylimidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-methyl-2-methylsulfanylimidazole-4-carbohydrazide
PubChem CID2821732
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name3-methyl-2-methylsulfanylimidazole-4-carbohydrazide
SMILESCSc1ncc(C(=O)NN)n1C
InChIInChI=1S/C6H10N4OS/c1-10-4(5(11)9-7)3-8-6(10)12-2/h3H,7H2,1-2H3,(H,9,11)
InChIKeyNSNZNXCXOFJFDT-UHFFFAOYSA-N
XLogP-0.25
TPSA72.94 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 ≤ 5-0.25
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 3-methyl-2-methylsulfanylimidazole-4-carbohydrazide?
The IUPAC name of 3-methyl-2-methylsulfanylimidazole-4-carbohydrazide (CID 2821732) is 3-methyl-2-methylsulfanylimidazole-4-carbohydrazide.
What is the SMILES notation for 3-methyl-2-methylsulfanylimidazole-4-carbohydrazide?
The canonical SMILES for 3-methyl-2-methylsulfanylimidazole-4-carbohydrazide is CSc1ncc(C(=O)NN)n1C.
What is the InChIKey of 3-methyl-2-methylsulfanylimidazole-4-carbohydrazide?
The InChIKey is NSNZNXCXOFJFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-10-4(5(11)9-7)3-8-6(10)12-2/h3H,7H2,1-2H3,(H,9,11).
What are the key properties of 3-methyl-2-methylsulfanylimidazole-4-carbohydrazide?
3-methyl-2-methylsulfanylimidazole-4-carbohydrazide has a molecular weight of 186.24 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanylimidazole-4-carbohydrazide is sourced from PubChem (CID 2821732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).