13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene

C14H12N2OS2 — CID 512473

IUPAC13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene
SMILESCOc1ccc2sc3c(c2c1)SCCn1ccnc1-3
InChIInChI=1S/C14H12N2OS2/c1-17-9-2-3-11-10(8-9)12-13(19-11)14-15-4-5-16(14)6-7-18-12/h2-5,8H,6-7H2,1H3
InChIKeyRVIPLJKJVZLSJY-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.88
Rot. Bonds1

About 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene

13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene (PubChem CID 512473) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene.

Molecular Properties

Compound Name13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene
PubChem CID512473
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene
SMILESCOc1ccc2sc3c(c2c1)SCCn1ccnc1-3
InChIInChI=1S/C14H12N2OS2/c1-17-9-2-3-11-10(8-9)12-13(19-11)14-15-4-5-16(14)6-7-18-12/h2-5,8H,6-7H2,1H3
InChIKeyRVIPLJKJVZLSJY-UHFFFAOYSA-N
XLogP3.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(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 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene?
The IUPAC name of 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene (CID 512473) is 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene.
What is the SMILES notation for 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene?
The canonical SMILES for 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene is COc1ccc2sc3c(c2c1)SCCn1ccnc1-3.
What is the InChIKey of 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene?
The InChIKey is RVIPLJKJVZLSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-17-9-2-3-11-10(8-9)12-13(19-11)14-15-4-5-16(14)6-7-18-12/h2-5,8H,6-7H2,1H3.
What are the key properties of 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene?
13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene has a molecular weight of 288.40 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-9,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene is sourced from PubChem (CID 512473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).