13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene

C15H12N2OS — CID 10778313

IUPAC13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
SMILESCOc1ccc2[nH]c3c(c2c1)CSc1ncccc1-3
InChIInChI=1S/C15H12N2OS/c1-18-9-4-5-13-11(7-9)12-8-19-15-10(14(12)17-13)3-2-6-16-15/h2-7,17H,8H2,1H3
InChIKeyHISJAQAJMHGDOW-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.84
Rot. Bonds1

About 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene

13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene (PubChem CID 10778313) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene.

Molecular Properties

Compound Name13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
PubChem CID10778313
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
SMILESCOc1ccc2[nH]c3c(c2c1)CSc1ncccc1-3
InChIInChI=1S/C15H12N2OS/c1-18-9-4-5-13-11(7-9)12-8-19-15-10(14(12)17-13)3-2-6-16-15/h2-7,17H,8H2,1H3
InChIKeyHISJAQAJMHGDOW-UHFFFAOYSA-N
XLogP3.84
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene?
The IUPAC name of 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene (CID 10778313) is 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene.
What is the SMILES notation for 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene?
The canonical SMILES for 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene is COc1ccc2[nH]c3c(c2c1)CSc1ncccc1-3.
What is the InChIKey of 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene?
The InChIKey is HISJAQAJMHGDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-18-9-4-5-13-11(7-9)12-8-19-15-10(14(12)17-13)3-2-6-16-15/h2-7,17H,8H2,1H3.
What are the key properties of 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene?
13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene has a molecular weight of 268.34 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene is sourced from PubChem (CID 10778313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).