10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one

C14H15N3OS — CID 23760924

IUPAC10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one
SMILESO=C1NC(c2cccnc2)NC2SC3=C(CCC3)C12
InChIInChI=1S/C14H15N3OS/c18-13-11-9-4-1-5-10(9)19-14(11)17-12(16-13)8-3-2-6-15-7-8/h2-3,6-7,11-12,14,17H,1,4-5H2,(H,16,18)
InChIKeyOGYQKXVTPAFHTJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.93
Rot. Bonds1

About 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one

10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one (PubChem CID 23760924) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one.

Molecular Properties

Compound Name10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one
PubChem CID23760924
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one
SMILESO=C1NC(c2cccnc2)NC2SC3=C(CCC3)C12
InChIInChI=1S/C14H15N3OS/c18-13-11-9-4-1-5-10(9)19-14(11)17-12(16-13)8-3-2-6-15-7-8/h2-3,6-7,11-12,14,17H,1,4-5H2,(H,16,18)
InChIKeyOGYQKXVTPAFHTJ-UHFFFAOYSA-N
XLogP1.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one with MolForge

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Related Compounds

US11472776, Example 15
CID 85167367
Tetrahydropyrido[2',3':2,3]thieno[4,5-d]pyrimidin-4-one
CID 129769467
1-[7-(2-fluorophenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 75270956
5-(n-Nonyl)-2-(3-pyridyl)thiazolidin-4-one
CID 14649072
S-[2-benzyl-3-oxo-3-(pyridin-3-ylmethylamino)propyl] ethanethioate
CID 88670561
(3R,4aR,11aR)-8-amino-N-ethyl-1-methyl-6-methylidene-N-(pyridin-3-ylmethylcarbamoyl)-2,3,4,4a,5,10,11,11a-octahydropyrido[3,2-f][1,3]thiazonine-3-carboxamide
CID 90296610
N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide
CID 123614529
6-amino-5-(aminomethyl)-2-(pyridin-3-ylmethylsulfanyl)-2,3-dihydro-1H-pyrimidin-4-one
CID 124128342
3-[2-(1-aminoethenylamino)ethylsulfanylmethyl]-N,N-dipropyl-4-pyridin-3-ylpent-4-enamide
CID 142066380
2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide
CID 142066381
3-(2-acetamidoethylsulfanylmethyl)-N,N-dimethyl-5-oxo-4-pyridin-3-ylpent-4-enamide
CID 142066386
N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-thieno[2,3-b]pyrrole-2-carboxamide
CID 142105690

Frequently Asked Questions

What is the IUPAC name of 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one?
The IUPAC name of 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one (CID 23760924) is 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one.
What is the SMILES notation for 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one?
The canonical SMILES for 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one is O=C1NC(c2cccnc2)NC2SC3=C(CCC3)C12.
What is the InChIKey of 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one?
The InChIKey is OGYQKXVTPAFHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-13-11-9-4-1-5-10(9)19-14(11)17-12(16-13)8-3-2-6-15-7-8/h2-3,6-7,11-12,14,17H,1,4-5H2,(H,16,18).
What are the key properties of 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one?
10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one has a molecular weight of 273.36 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-12-one is sourced from PubChem (CID 23760924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).