N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide

C14H18N8S — CID 144666198

IUPACN'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide
SMILESC/N=C/C(=CN)Nc1cnc2ccc(NNNC(C)=S)nc2c1
InChIInChI=1S/C14H18N8S/c1-9(23)20-22-21-14-4-3-12-13(19-14)5-10(8-17-12)18-11(6-15)7-16-2/h3-8,18,22H,15H2,1-2H3,(H,19,21)(H,20,23)/b11-6?,16-7+
InChIKeyNURCDSILINJKGT-DYGNWFAWSA-N
MW330.42 g/mol
LogP1.31
Rot. Bonds6

About N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide

N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide (PubChem CID 144666198) has the molecular formula C14H18N8S and a molecular weight of 330.42 g/mol. Its IUPAC name is N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide.

Molecular Properties

Compound NameN'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide
PubChem CID144666198
Molecular FormulaC14H18N8S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC NameN'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide
SMILESC/N=C/C(=CN)Nc1cnc2ccc(NNNC(C)=S)nc2c1
InChIInChI=1S/C14H18N8S/c1-9(23)20-22-21-14-4-3-12-13(19-14)5-10(8-17-12)18-11(6-15)7-16-2/h3-8,18,22H,15H2,1-2H3,(H,19,21)(H,20,23)/b11-6?,16-7+
InChIKeyNURCDSILINJKGT-DYGNWFAWSA-N
XLogP1.31
TPSA112.28 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide 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'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide?
The IUPAC name of N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide (CID 144666198) is N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide.
What is the SMILES notation for N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide?
The canonical SMILES for N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide is C/N=C/C(=CN)Nc1cnc2ccc(NNNC(C)=S)nc2c1.
What is the InChIKey of N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide?
The InChIKey is NURCDSILINJKGT-DYGNWFAWSA-N. The full InChI is InChI=1S/C14H18N8S/c1-9(23)20-22-21-14-4-3-12-13(19-14)5-10(8-17-12)18-11(6-15)7-16-2/h3-8,18,22H,15H2,1-2H3,(H,19,21)(H,20,23)/b11-6?,16-7+.
What are the key properties of N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide?
N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide has a molecular weight of 330.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[7-[(1-amino-3-methyliminoprop-1-en-2-yl)amino]-1,5-naphthyridin-2-yl]amino]ethanethiohydrazide is sourced from PubChem (CID 144666198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).