3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene

C10H7NS — CID 140968629

IUPAC3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene
SMILESC1=C2C=c3cccnc3=C2SC1
InChIInChI=1S/C10H7NS/c1-2-7-6-8-3-5-12-10(8)9(7)11-4-1/h1-4,6H,5H2
InChIKeyJZVBKTCUDHEMPF-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.66
Rot. Bonds

About 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene

3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene (PubChem CID 140968629) has the molecular formula C10H7NS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene.

Molecular Properties

Compound Name3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene
PubChem CID140968629
Molecular FormulaC10H7NS
Molecular Weight173.24 g/mol
Exact Mass173.03
IUPAC Name3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene
SMILESC1=C2C=c3cccnc3=C2SC1
InChIInChI=1S/C10H7NS/c1-2-7-6-8-3-5-12-10(8)9(7)11-4-1/h1-4,6H,5H2
InChIKeyJZVBKTCUDHEMPF-UHFFFAOYSA-N
XLogP0.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indolo[6,7-d]thiophene
CID 129790170
Thieno[3',2':5,6]pyrido[3,2-b]azepine
CID 155803293
Azolo[3,4-b]thieno[3,2-h]quinoxaline
CID 171904756
2H-Pyrrolo[2,3-f]benzothiazole
CID 45076955
3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium
CID 58813669
3-(3H-thiophen-3-id-2-yl)-2H-pyridin-2-ide;yttrium
CID 58813750
3-Thia-7,12-diazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
CID 67626617
2H-thieno[2,3-f]indole
CID 67688592
2,4-Dihydrothieno[3,2-c]pyridine
CID 69057626
4H-thieno[3,4-b]pyrrole
CID 69330882
14-Thia-3,10-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11(15)-hexaene
CID 70537485
6-Thia-11-azatricyclo[8.4.0.03,7]tetradeca-1,3,7,9,11,13-hexaene
CID 87987409

Frequently Asked Questions

What is the IUPAC name of 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene?
The IUPAC name of 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene (CID 140968629) is 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene.
What is the SMILES notation for 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene?
The canonical SMILES for 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene is C1=C2C=c3cccnc3=C2SC1.
What is the InChIKey of 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene?
The InChIKey is JZVBKTCUDHEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NS/c1-2-7-6-8-3-5-12-10(8)9(7)11-4-1/h1-4,6H,5H2.
What are the key properties of 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene?
3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene has a molecular weight of 173.24 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene is sourced from PubChem (CID 140968629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).