6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide

C19H18F3N3O2S — CID 46884209

IUPAC6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
SMILESNC(=O)c1sc2nc3c(c(-c4ccc(C(F)(F)F)o4)c2c1N)CCCCCC3
InChIInChI=1S/C19H18F3N3O2S/c20-19(21,22)12-8-7-11(27-12)13-9-5-3-1-2-4-6-10(9)25-18-14(13)15(23)16(28-18)17(24)26/h7-8H,1-6,23H2,(H2,24,26)
InChIKeyVHLDQURHHUWKSX-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.92
Rot. Bonds2

About 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide

6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide (PubChem CID 46884209) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound Name6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
PubChem CID46884209
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC Name6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
SMILESNC(=O)c1sc2nc3c(c(-c4ccc(C(F)(F)F)o4)c2c1N)CCCCCC3
InChIInChI=1S/C19H18F3N3O2S/c20-19(21,22)12-8-7-11(27-12)13-9-5-3-1-2-4-6-10(9)25-18-14(13)15(23)16(28-18)17(24)26/h7-8H,1-6,23H2,(H2,24,26)
InChIKeyVHLDQURHHUWKSX-UHFFFAOYSA-N
XLogP4.92
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide?
The IUPAC name of 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide (CID 46884209) is 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide.
What is the SMILES notation for 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide?
The canonical SMILES for 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide is NC(=O)c1sc2nc3c(c(-c4ccc(C(F)(F)F)o4)c2c1N)CCCCCC3.
What is the InChIKey of 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide?
The InChIKey is VHLDQURHHUWKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c20-19(21,22)12-8-7-11(27-12)13-9-5-3-1-2-4-6-10(9)25-18-14(13)15(23)16(28-18)17(24)26/h7-8H,1-6,23H2,(H2,24,26).
What are the key properties of 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide?
6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 46884209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).