5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one

C15H15N3OS — CID 103964971

IUPAC5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one
SMILESO=C1CC2CSCCN2c2c(cnc3ccccc23)N1
InChIInChI=1S/C15H15N3OS/c19-14-7-10-9-20-6-5-18(10)15-11-3-1-2-4-12(11)16-8-13(15)17-14/h1-4,8,10H,5-7,9H2,(H,17,19)
InChIKeyFSJNYBPVJDWBMA-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.50
Rot. Bonds

About 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one

5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one (PubChem CID 103964971) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one.

Molecular Properties

Compound Name5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one
PubChem CID103964971
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one
SMILESO=C1CC2CSCCN2c2c(cnc3ccccc23)N1
InChIInChI=1S/C15H15N3OS/c19-14-7-10-9-20-6-5-18(10)15-11-3-1-2-4-12(11)16-8-13(15)17-14/h1-4,8,10H,5-7,9H2,(H,17,19)
InChIKeyFSJNYBPVJDWBMA-UHFFFAOYSA-N
XLogP2.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one with MolForge

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Related Compounds

10-chloro-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one
CID 115472175
2,9,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 103964912
1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one
CID 103964938
1,3-dihydropyrrolo[2,3-c]quinolin-2-one
CID 178065999
4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine
CID 103963434
1-(2-methylpropyl)-2,4-dihydropyrazino[2,3-c]quinolin-3-one
CID 103964959
1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965043
18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one
CID 103964973
4-thiomorpholin-4-ylquinoline-3-carbothioamide
CID 43669618
10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline
CID 82908449
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424

Frequently Asked Questions

What is the IUPAC name of 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one?
The IUPAC name of 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one (CID 103964971) is 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one.
What is the SMILES notation for 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one?
The canonical SMILES for 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one is O=C1CC2CSCCN2c2c(cnc3ccccc23)N1.
What is the InChIKey of 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one?
The InChIKey is FSJNYBPVJDWBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-14-7-10-9-20-6-5-18(10)15-11-3-1-2-4-12(11)16-8-13(15)17-14/h1-4,8,10H,5-7,9H2,(H,17,19).
What are the key properties of 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one?
5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one has a molecular weight of 285.37 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one is sourced from PubChem (CID 103964971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).