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

C18H19N3O2S — CID 46884128

IUPAC6-amino-8-(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(-c4ccco4)c2c1N)CCCCCC3
InChIInChI=1S/C18H19N3O2S/c19-15-14-13(12-8-5-9-23-12)10-6-3-1-2-4-7-11(10)21-18(14)24-16(15)17(20)22/h5,8-9H,1-4,6-7,19H2,(H2,20,22)
InChIKeySCWDEGJOTPRQQT-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.90
Rot. Bonds2

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

6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide (PubChem CID 46884128) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-amino-8-(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-(furan-2-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
PubChem CID46884128
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name6-amino-8-(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(-c4ccco4)c2c1N)CCCCCC3
InChIInChI=1S/C18H19N3O2S/c19-15-14-13(12-8-5-9-23-12)10-6-3-1-2-4-7-11(10)21-18(14)24-16(15)17(20)22/h5,8-9H,1-4,6-7,19H2,(H2,20,22)
InChIKeySCWDEGJOTPRQQT-UHFFFAOYSA-N
XLogP3.90
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-(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-(furan-2-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide (CID 46884128) is 6-amino-8-(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-(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-(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(-c4ccco4)c2c1N)CCCCCC3.
What is the InChIKey of 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide?
The InChIKey is SCWDEGJOTPRQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c19-15-14-13(12-8-5-9-23-12)10-6-3-1-2-4-7-11(10)21-18(14)24-16(15)17(20)22/h5,8-9H,1-4,6-7,19H2,(H2,20,22).
What are the key properties of 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide?
6-amino-8-(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 341.44 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-(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 46884128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).