5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine

C14H16N4S — CID 143516892

IUPAC5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine
SMILESC=Nc1ccc(N)cc1SCc1ccc(NC)nc1
InChIInChI=1S/C14H16N4S/c1-16-12-5-4-11(15)7-13(12)19-9-10-3-6-14(17-2)18-8-10/h3-8H,1,9,15H2,2H3,(H,17,18)
InChIKeyBDYNJNJUCSDWGN-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.33
Rot. Bonds5

About 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine

5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine (PubChem CID 143516892) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine
PubChem CID143516892
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine
SMILESC=Nc1ccc(N)cc1SCc1ccc(NC)nc1
InChIInChI=1S/C14H16N4S/c1-16-12-5-4-11(15)7-13(12)19-9-10-3-6-14(17-2)18-8-10/h3-8H,1,9,15H2,2H3,(H,17,18)
InChIKeyBDYNJNJUCSDWGN-UHFFFAOYSA-N
XLogP3.33
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine 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 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine (CID 143516892) is 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine is C=Nc1ccc(N)cc1SCc1ccc(NC)nc1.
What is the InChIKey of 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine?
The InChIKey is BDYNJNJUCSDWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-16-12-5-4-11(15)7-13(12)19-9-10-3-6-14(17-2)18-8-10/h3-8H,1,9,15H2,2H3,(H,17,18).
What are the key properties of 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine?
5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine has a molecular weight of 272.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 143516892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).