2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide

C13H16N4O2S — CID 24644397

IUPAC2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCSCCC(=O)NNC(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C13H16N4O2S/c1-9-12(17-7-4-3-5-10(17)14-9)13(19)16-15-11(18)6-8-20-2/h3-5,7H,6,8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyPISUACQWOASMJO-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.16
Rot. Bonds4

About 2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide

2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 24644397) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID24644397
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCSCCC(=O)NNC(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C13H16N4O2S/c1-9-12(17-7-4-3-5-10(17)14-9)13(19)16-15-11(18)6-8-20-2/h3-5,7H,6,8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyPISUACQWOASMJO-UHFFFAOYSA-N
XLogP1.16
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide (CID 24644397) is 2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide is CSCCC(=O)NNC(=O)c1c(C)nc2ccccn12.
What is the InChIKey of 2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is PISUACQWOASMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-12(17-7-4-3-5-10(17)14-9)13(19)16-15-11(18)6-8-20-2/h3-5,7H,6,8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide?
2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 292.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 24644397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).