N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide

C10H12N4S — CID 12875779

IUPACN'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide
SMILESN#C/N=C(\N)CCSCc1ccccn1
InChIInChI=1S/C10H12N4S/c11-8-14-10(12)4-6-15-7-9-3-1-2-5-13-9/h1-3,5H,4,6-7H2,(H2,12,14)
InChIKeyZATLCEYMWHLPGB-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.54
Rot. Bonds5

About N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide

N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide (PubChem CID 12875779) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide.

Molecular Properties

Compound NameN'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide
PubChem CID12875779
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC NameN'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide
SMILESN#C/N=C(\N)CCSCc1ccccn1
InChIInChI=1S/C10H12N4S/c11-8-14-10(12)4-6-15-7-9-3-1-2-5-13-9/h1-3,5H,4,6-7H2,(H2,12,14)
InChIKeyZATLCEYMWHLPGB-UHFFFAOYSA-N
XLogP1.54
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide?
The IUPAC name of N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide (CID 12875779) is N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide.
What is the SMILES notation for N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide?
The canonical SMILES for N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide is N#C/N=C(\N)CCSCc1ccccn1.
What is the InChIKey of N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide?
The InChIKey is ZATLCEYMWHLPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c11-8-14-10(12)4-6-15-7-9-3-1-2-5-13-9/h1-3,5H,4,6-7H2,(H2,12,14).
What are the key properties of N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide?
N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide has a molecular weight of 220.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-3-(pyridin-2-ylmethylsulfanyl)propanimidamide is sourced from PubChem (CID 12875779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).