N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide

C16H18N4OS — CID 6867577

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C16H18N4OS/c1-20(2)14-8-6-13(7-9-14)11-18-19-15(21)12-22-16-5-3-4-10-17-16/h3-11H,12H2,1-2H3,(H,19,21)/b18-11+
InChIKeyACYZPUAPCIDNPP-WOJGMQOQSA-N
MW314.41 g/mol
LogP2.39
Rot. Bonds6

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 6867577) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID6867577
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C16H18N4OS/c1-20(2)14-8-6-13(7-9-14)11-18-19-15(21)12-22-16-5-3-4-10-17-16/h3-11H,12H2,1-2H3,(H,19,21)/b18-11+
InChIKeyACYZPUAPCIDNPP-WOJGMQOQSA-N
XLogP2.39
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide 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-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 6867577) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide is CN(C)c1ccc(/C=N/NC(=O)CSc2ccccn2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is ACYZPUAPCIDNPP-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-20(2)14-8-6-13(7-9-14)11-18-19-15(21)12-22-16-5-3-4-10-17-16/h3-11H,12H2,1-2H3,(H,19,21)/b18-11+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 314.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 6867577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).