10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene

C14H14N2OS2 — CID 101460138

IUPAC10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene
SMILESc1cc2nc(c1)-c1cccc(n1)SCCOCCS2
InChIInChI=1S/C14H14N2OS2/c1-3-11-12-4-2-6-14(16-12)19-10-8-17-7-9-18-13(5-1)15-11/h1-6H,7-10H2
InChIKeyGPBHQHIJJLGZOL-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.36
Rot. Bonds

About 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene

10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene (PubChem CID 101460138) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene.

Molecular Properties

Compound Name10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene
PubChem CID101460138
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene
SMILESc1cc2nc(c1)-c1cccc(n1)SCCOCCS2
InChIInChI=1S/C14H14N2OS2/c1-3-11-12-4-2-6-14(16-12)19-10-8-17-7-9-18-13(5-1)15-11/h1-6H,7-10H2
InChIKeyGPBHQHIJJLGZOL-UHFFFAOYSA-N
XLogP3.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene with MolForge

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Related Compounds

2,6-Bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine
CID 90999322
13-Oxa-10,16-dithia-24,25-diazapentacyclo[15.6.1.12,9.04,8.018,22]pentacosa-1(24),2(25),3,8,17,22-hexaene
CID 101460141
Bis(2-(pyridin-2-ylthio)ethyl)ether
CID 101962282
3-[(2,6-Dimethyl-3-pyridinyl)sulfanyl]-2,6-dimethylpyridine
CID 176437528
2-Fluoro-6-(oxan-4-ylsulfanyl)pyridine
CID 62995902
2,2'-Bis(ethylsulfanyl)-6,6'-bipyridine
CID 14784772
2-Ethylsulfanyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine
CID 15831651
2-Ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine
CID 101460121
8,11,14-Trithia-20,21-diazatricyclo[14.3.1.12,6]henicosa-1(19),2,4,6(21),16(20),17-hexaene
CID 102084789
2,2'-Bipyridine, 6,6'-bis(methylthio)-
CID 11586853
2,4-Bis(6-methyl-2-pyridinyl)-1,3-thiazole
CID 23393253
2-Ethyl-6-(phenylsulfanylmethyl)pyridine
CID 59428606

Frequently Asked Questions

What is the IUPAC name of 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene?
The IUPAC name of 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene (CID 101460138) is 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene.
What is the SMILES notation for 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene?
The canonical SMILES for 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene is c1cc2nc(c1)-c1cccc(n1)SCCOCCS2.
What is the InChIKey of 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene?
The InChIKey is GPBHQHIJJLGZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-3-11-12-4-2-6-14(16-12)19-10-8-17-7-9-18-13(5-1)15-11/h1-6H,7-10H2.
What are the key properties of 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene?
10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene has a molecular weight of 290.41 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene is sourced from PubChem (CID 101460138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).