5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione

C14H21N3S — CID 176658259

IUPAC5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione
SMILESC=C(C)CNC(=C)CNC(=C)C1=CCCNC1=S
InChIInChI=1S/C14H21N3S/c1-10(2)8-16-11(3)9-17-12(4)13-6-5-7-15-14(13)18/h6,16-17H,1,3-5,7-9H2,2H3,(H,15,18)
InChIKeyOXNJTHHQYPWRJU-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.02
Rot. Bonds7

About 5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione

5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione (PubChem CID 176658259) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione.

Molecular Properties

Compound Name5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione
PubChem CID176658259
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione
SMILESC=C(C)CNC(=C)CNC(=C)C1=CCCNC1=S
InChIInChI=1S/C14H21N3S/c1-10(2)8-16-11(3)9-17-12(4)13-6-5-7-15-14(13)18/h6,16-17H,1,3-5,7-9H2,2H3,(H,15,18)
InChIKeyOXNJTHHQYPWRJU-UHFFFAOYSA-N
XLogP2.02
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione 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-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione?
The IUPAC name of 5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione (CID 176658259) is 5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione.
What is the SMILES notation for 5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione?
The canonical SMILES for 5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione is C=C(C)CNC(=C)CNC(=C)C1=CCCNC1=S.
What is the InChIKey of 5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione?
The InChIKey is OXNJTHHQYPWRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10(2)8-16-11(3)9-17-12(4)13-6-5-7-15-14(13)18/h6,16-17H,1,3-5,7-9H2,2H3,(H,15,18).
What are the key properties of 5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione?
5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione has a molecular weight of 263.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-methylprop-2-enylamino)prop-2-enylamino]ethenyl]-2,3-dihydro-1H-pyridine-6-thione is sourced from PubChem (CID 176658259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).