9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C10H6N2OS — CID 5323778

IUPAC9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESc1cnc2c(c1)Oc1cccnc1S2
InChIInChI=1S/C10H6N2OS/c1-3-7-9(11-5-1)14-10-8(13-7)4-2-6-12-10/h1-6H
InChIKeySMAIHLPDIYOZHT-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.73
Rot. Bonds

About 9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 5323778) has the molecular formula C10H6N2OS and a molecular weight of 202.24 g/mol. Its IUPAC name is 9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID5323778
Molecular FormulaC10H6N2OS
Molecular Weight202.24 g/mol
Exact Mass202.02
IUPAC Name9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESc1cnc2c(c1)Oc1cccnc1S2
InChIInChI=1S/C10H6N2OS/c1-3-7-9(11-5-1)14-10-8(13-7)4-2-6-12-10/h1-6H
InChIKeySMAIHLPDIYOZHT-UHFFFAOYSA-N
XLogP2.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 5323778) is 9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is c1cnc2c(c1)Oc1cccnc1S2.
What is the InChIKey of 9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is SMAIHLPDIYOZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS/c1-3-7-9(11-5-1)14-10-8(13-7)4-2-6-12-10/h1-6H.
What are the key properties of 9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 202.24 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 5323778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).