17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C14H8N2S — CID 160830571

IUPAC17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1cnc2sc3cc4cnccc4cc3c2c1
InChIInChI=1S/C14H8N2S/c1-2-11-12-6-9-3-5-15-8-10(9)7-13(12)17-14(11)16-4-1/h1-8H
InChIKeySGTANWBVXPCDMO-UHFFFAOYSA-N
MW236.30 g/mol
LogP4.00
Rot. Bonds

About 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 160830571) has the molecular formula C14H8N2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID160830571
Molecular FormulaC14H8N2S
Molecular Weight236.30 g/mol
Exact Mass236.04
IUPAC Name17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1cnc2sc3cc4cnccc4cc3c2c1
InChIInChI=1S/C14H8N2S/c1-2-11-12-6-9-3-5-15-8-10(9)7-13(12)17-14(11)16-4-1/h1-8H
InChIKeySGTANWBVXPCDMO-UHFFFAOYSA-N
XLogP4.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene 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

5-isoquinolin-3-yl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 168745971
17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 156501515
6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 169293735
6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 90250519
13-methyl-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 10977847
2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene
CID 140949278
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
5-(8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 167165702
ethane;6H-pyrido[4,3-b]carbazole
CID 142896724
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
CID 168737841
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
CID 166860696
18-N-([1]benzothiolo[2,3-b]pyridin-7-yl)-6-N-([1]benzothiolo[2,3-c]pyridin-7-yl)-6-N,18-N-bis(3,5-dimethylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 159004430

Frequently Asked Questions

What is the IUPAC name of 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 160830571) is 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1cnc2sc3cc4cnccc4cc3c2c1.
What is the InChIKey of 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is SGTANWBVXPCDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S/c1-2-11-12-6-9-3-5-15-8-10(9)7-13(12)17-14(11)16-4-1/h1-8H.
What are the key properties of 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 236.30 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 160830571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).