10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene

C11H6N4S — CID 144848494

IUPAC10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene
SMILESc1cc2c(cn1)sc1[nH]c3cncnc3c12
InChIInChI=1S/C11H6N4S/c1-2-12-4-8-6(1)9-10-7(3-13-5-14-10)15-11(9)16-8/h1-5,15H
InChIKeyKWDRRPIWPMPOMW-UHFFFAOYSA-N
MW226.26 g/mol
LogP2.72
Rot. Bonds

About 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene

10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene (PubChem CID 144848494) has the molecular formula C11H6N4S and a molecular weight of 226.26 g/mol. Its IUPAC name is 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene.

Molecular Properties

Compound Name10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene
PubChem CID144848494
Molecular FormulaC11H6N4S
Molecular Weight226.26 g/mol
Exact Mass226.03
IUPAC Name10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene
SMILESc1cc2c(cn1)sc1[nH]c3cncnc3c12
InChIInChI=1S/C11H6N4S/c1-2-12-4-8-6(1)9-10-7(3-13-5-14-10)15-11(9)16-8/h1-5,15H
InChIKeyKWDRRPIWPMPOMW-UHFFFAOYSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene?
The IUPAC name of 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene (CID 144848494) is 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene.
What is the SMILES notation for 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene?
The canonical SMILES for 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene is c1cc2c(cn1)sc1[nH]c3cncnc3c12.
What is the InChIKey of 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene?
The InChIKey is KWDRRPIWPMPOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4S/c1-2-12-4-8-6(1)9-10-7(3-13-5-14-10)15-11(9)16-8/h1-5,15H.
What are the key properties of 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene?
10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene has a molecular weight of 226.26 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene is sourced from PubChem (CID 144848494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).