14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione

C18H25N3S2 — CID 23849207

IUPAC14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione
SMILESC=Cn1c(N)c2c3c(sc2nc1=S)CCCCCCCCCC3
InChIInChI=1S/C18H25N3S2/c1-2-21-16(19)15-13-11-9-7-5-3-4-6-8-10-12-14(13)23-17(15)20-18(21)22/h2H,1,3-12,19H2
InChIKeyOQAKIYVAMOAOLY-UHFFFAOYSA-N
MW347.55 g/mol
LogP5.73
Rot. Bonds1

About 14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione

14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione (PubChem CID 23849207) has the molecular formula C18H25N3S2 and a molecular weight of 347.55 g/mol. Its IUPAC name is 14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione.

Molecular Properties

Compound Name14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione
PubChem CID23849207
Molecular FormulaC18H25N3S2
Molecular Weight347.55 g/mol
Exact Mass347.15
IUPAC Name14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione
SMILESC=Cn1c(N)c2c3c(sc2nc1=S)CCCCCCCCCC3
InChIInChI=1S/C18H25N3S2/c1-2-21-16(19)15-13-11-9-7-5-3-4-6-8-10-12-14(13)23-17(15)20-18(21)22/h2H,1,3-12,19H2
InChIKeyOQAKIYVAMOAOLY-UHFFFAOYSA-N
XLogP5.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 57341529
4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione
CID 1180504
19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine
CID 2330392
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CID 751739
potassium 4-sulfanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate
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CID 55038211
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CID 13289819
4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate
CID 5125052
(5-methyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)hydrazine
CID 16656117
sodium 4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate
CID 21238616
19-thia-2,10-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,13(18)-trien-11-one
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Frequently Asked Questions

What is the IUPAC name of 14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione?
The IUPAC name of 14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione (CID 23849207) is 14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione.
What is the SMILES notation for 14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione?
The canonical SMILES for 14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione is C=Cn1c(N)c2c3c(sc2nc1=S)CCCCCCCCCC3.
What is the InChIKey of 14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione?
The InChIKey is OQAKIYVAMOAOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S2/c1-2-21-16(19)15-13-11-9-7-5-3-4-6-8-10-12-14(13)23-17(15)20-18(21)22/h2H,1,3-12,19H2.
What are the key properties of 14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione?
14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione has a molecular weight of 347.55 g/mol, XLogP of 5.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione is sourced from PubChem (CID 23849207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).