13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene

C13H14N2S — CID 12694992

IUPAC13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene
SMILESc1ccc2c(c1)CCC1N=C3SCCN3C21
InChIInChI=1S/C13H14N2S/c1-2-4-10-9(3-1)5-6-11-12(10)15-7-8-16-13(15)14-11/h1-4,11-12H,5-8H2
InChIKeyVCUHMAHSHXOKPT-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.46
Rot. Bonds

About 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene

13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene (PubChem CID 12694992) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene.

Molecular Properties

Compound Name13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene
PubChem CID12694992
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene
SMILESc1ccc2c(c1)CCC1N=C3SCCN3C21
InChIInChI=1S/C13H14N2S/c1-2-4-10-9(3-1)5-6-11-12(10)15-7-8-16-13(15)14-11/h1-4,11-12H,5-8H2
InChIKeyVCUHMAHSHXOKPT-UHFFFAOYSA-N
XLogP2.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene with MolForge

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Related Compounds

Levamisole
CID 26879
(+-)-Tetramisole
CID 3913
Levamisole Hydrochloride
CID 27944
Tetramisole Hydrochloride
CID 68628
Dexamisole
CID 66374
Imidazo(2,1-b)thiazole, 2,3,5,6-tetrahydro-6-phenyl-, hydrochloride (1:1), (6R)-
CID 197152
Naphth(1',2':4,5)imidazo(2,1-b)thiazole, 5,6,6a,8,9,11a-hexahydro-, (Z)-, monohydrochloride
CID 3058851
Naphth(2',1':4,5)imidazo(2,1-b)thiazole, 5,6,6a,9,10,11a-hexahydro-, (Z)-
CID 3058853
Naphth(2',1':4,5)imidazo(2,1-b)thiazole, 5,6,6a,9,10,11a-hexahydro-, (E)-
CID 3058854
Naphth(1',2':4,5)imidazo(2,1-b)thiazole, 5,6,6a,8,9,11a-hexahydro-, (E)-
CID 3063978
14-Thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,15-tetraene
CID 12694984
5-Chloro-13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5,11-tetraene
CID 12694994

Frequently Asked Questions

What is the IUPAC name of 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene?
The IUPAC name of 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene (CID 12694992) is 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene.
What is the SMILES notation for 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene?
The canonical SMILES for 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene is c1ccc2c(c1)CCC1N=C3SCCN3C21.
What is the InChIKey of 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene?
The InChIKey is VCUHMAHSHXOKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-4-10-9(3-1)5-6-11-12(10)15-7-8-16-13(15)14-11/h1-4,11-12H,5-8H2.
What are the key properties of 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene?
13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene has a molecular weight of 230.34 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene is sourced from PubChem (CID 12694992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).