15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene

C13H11ClN4S — CID 11988211

IUPAC15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
SMILESCN1CCc2nc3sc4c(Cl)ncnc4c3cc2C1
InChIInChI=1S/C13H11ClN4S/c1-18-3-2-9-7(5-18)4-8-10-11(19-13(8)17-9)12(14)16-6-15-10/h4,6H,2-3,5H2,1H3
InChIKeyREDBHPWGTDNDTI-UHFFFAOYSA-N
MW290.78 g/mol
LogP2.88
Rot. Bonds

About 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene

15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene (PubChem CID 11988211) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene.

Molecular Properties

Compound Name15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
PubChem CID11988211
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
SMILESCN1CCc2nc3sc4c(Cl)ncnc4c3cc2C1
InChIInChI=1S/C13H11ClN4S/c1-18-3-2-9-7(5-18)4-8-10-11(19-13(8)17-9)12(14)16-6-15-10/h4,6H,2-3,5H2,1H3
InChIKeyREDBHPWGTDNDTI-UHFFFAOYSA-N
XLogP2.88
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene 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 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene?
The IUPAC name of 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene (CID 11988211) is 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene.
What is the SMILES notation for 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene?
The canonical SMILES for 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene is CN1CCc2nc3sc4c(Cl)ncnc4c3cc2C1.
What is the InChIKey of 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene?
The InChIKey is REDBHPWGTDNDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-18-3-2-9-7(5-18)4-8-10-11(19-13(8)17-9)12(14)16-6-15-10/h4,6H,2-3,5H2,1H3.
What are the key properties of 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene?
15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene has a molecular weight of 290.78 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-6-methyl-17-thia-2,6,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene is sourced from PubChem (CID 11988211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).