10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene

C8H8N2OS — CID 21107968

IUPAC10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene
SMILESc1cn2c3c(sc2n1)COCC3
InChIInChI=1S/C8H8N2OS/c1-4-11-5-7-6(1)10-3-2-9-8(10)12-7/h2-3H,1,4-5H2
InChIKeyWYUJTZFSNZFXMI-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.47
Rot. Bonds

About 10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene

10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene (PubChem CID 21107968) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene.

Molecular Properties

Compound Name10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene
PubChem CID21107968
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene
SMILESc1cn2c3c(sc2n1)COCC3
InChIInChI=1S/C8H8N2OS/c1-4-11-5-7-6(1)10-3-2-9-8(10)12-7/h2-3H,1,4-5H2
InChIKeyWYUJTZFSNZFXMI-UHFFFAOYSA-N
XLogP1.47
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene?
The IUPAC name of 10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene (CID 21107968) is 10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene.
What is the SMILES notation for 10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene?
The canonical SMILES for 10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene is c1cn2c3c(sc2n1)COCC3.
What is the InChIKey of 10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene?
The InChIKey is WYUJTZFSNZFXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-4-11-5-7-6(1)10-3-2-9-8(10)12-7/h2-3H,1,4-5H2.
What are the key properties of 10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene?
10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene has a molecular weight of 180.23 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene is sourced from PubChem (CID 21107968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).