6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol

C11H18N4S — CID 142817049

IUPAC6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol
SMILESC=CC1=C(S)N(/C(C)=C\NC)C/C(=N\C)N1
InChIInChI=1S/C11H18N4S/c1-5-9-11(16)15(8(2)6-12-3)7-10(13-4)14-9/h5-6,12,16H,1,7H2,2-4H3,(H,13,14)/b8-6-
InChIKeyVEQWYVNOXALPDE-VURMDHGXSA-N
MW238.36 g/mol
LogP1.29
Rot. Bonds3

About 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol

6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol (PubChem CID 142817049) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol.

Molecular Properties

Compound Name6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol
PubChem CID142817049
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol
SMILESC=CC1=C(S)N(/C(C)=C\NC)C/C(=N\C)N1
InChIInChI=1S/C11H18N4S/c1-5-9-11(16)15(8(2)6-12-3)7-10(13-4)14-9/h5-6,12,16H,1,7H2,2-4H3,(H,13,14)/b8-6-
InChIKeyVEQWYVNOXALPDE-VURMDHGXSA-N
XLogP1.29
TPSA39.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol with MolForge

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

Launch Full Analysis

Related Compounds

N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide
CID 142175218
N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide
CID 171660727

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol?
The IUPAC name of 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol (CID 142817049) is 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol.
What is the SMILES notation for 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol?
The canonical SMILES for 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol is C=CC1=C(S)N(/C(C)=C\NC)C/C(=N\C)N1.
What is the InChIKey of 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol?
The InChIKey is VEQWYVNOXALPDE-VURMDHGXSA-N. The full InChI is InChI=1S/C11H18N4S/c1-5-9-11(16)15(8(2)6-12-3)7-10(13-4)14-9/h5-6,12,16H,1,7H2,2-4H3,(H,13,14)/b8-6-.
What are the key properties of 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol?
6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol has a molecular weight of 238.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol is sourced from PubChem (CID 142817049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).