4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C15H12N2OS — CID 15462565

IUPAC4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1cc(-c2cn3ccc4sccc4c3n2)c(C)o1
InChIInChI=1S/C15H12N2OS/c1-9-7-12(10(2)18-9)13-8-17-5-3-14-11(4-6-19-14)15(17)16-13/h3-8H,1-2H3
InChIKeyQEQKDTHZUODFQX-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.43
Rot. Bonds1

About 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 15462565) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID15462565
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1cc(-c2cn3ccc4sccc4c3n2)c(C)o1
InChIInChI=1S/C15H12N2OS/c1-9-7-12(10(2)18-9)13-8-17-5-3-14-11(4-6-19-14)15(17)16-13/h3-8H,1-2H3
InChIKeyQEQKDTHZUODFQX-UHFFFAOYSA-N
XLogP4.43
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 15462565) is 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1cc(-c2cn3ccc4sccc4c3n2)c(C)o1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is QEQKDTHZUODFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-9-7-12(10(2)18-9)13-8-17-5-3-14-11(4-6-19-14)15(17)16-13/h3-8H,1-2H3.
What are the key properties of 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 268.34 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 15462565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).