11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one

C15H7F3N2O3S — CID 54697678

IUPAC11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
SMILESO=c1cc(O)c2sc3nc(-c4ccco4)cc(C(F)(F)F)c3c2[nH]1
InChIInChI=1S/C15H7F3N2O3S/c16-15(17,18)6-4-7(9-2-1-3-23-9)19-14-11(6)12-13(24-14)8(21)5-10(22)20-12/h1-5H,(H2,20,21,22)
InChIKeyQTGHVIRGSWOTTH-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.12
Rot. Bonds1

About 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one

11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (PubChem CID 54697678) has the molecular formula C15H7F3N2O3S and a molecular weight of 352.29 g/mol. Its IUPAC name is 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one.

Molecular Properties

Compound Name11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
PubChem CID54697678
Molecular FormulaC15H7F3N2O3S
Molecular Weight352.29 g/mol
Exact Mass352.01
IUPAC Name11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
SMILESO=c1cc(O)c2sc3nc(-c4ccco4)cc(C(F)(F)F)c3c2[nH]1
InChIInChI=1S/C15H7F3N2O3S/c16-15(17,18)6-4-7(9-2-1-3-23-9)19-14-11(6)12-13(24-14)8(21)5-10(22)20-12/h1-5H,(H2,20,21,22)
InChIKeyQTGHVIRGSWOTTH-UHFFFAOYSA-N
XLogP4.12
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The IUPAC name of 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (CID 54697678) is 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one.
What is the SMILES notation for 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The canonical SMILES for 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one is O=c1cc(O)c2sc3nc(-c4ccco4)cc(C(F)(F)F)c3c2[nH]1.
What is the InChIKey of 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The InChIKey is QTGHVIRGSWOTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N2O3S/c16-15(17,18)6-4-7(9-2-1-3-23-9)19-14-11(6)12-13(24-14)8(21)5-10(22)20-12/h1-5H,(H2,20,21,22).
What are the key properties of 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one has a molecular weight of 352.29 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one is sourced from PubChem (CID 54697678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).