6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide

C20H20FN3OS — CID 23916877

About 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide

6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide (PubChem CID 23916877) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
• PubChem CID: 23916877
• Molecular Formula: C20H20FN3OS
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.13
• IUPAC Name: 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
• SMILES: Cc1ccc(F)cc1NC(=O)c1sc2nc3c(cc2c1N)CCCCC3
• InChI: InChI=1S/C20H20FN3OS/c1-11-7-8-13(21)10-16(11)23-19(25)18-17(22)14-9-12-5-3-2-4-6-15(12)24-20(14)26-18/h7-10H,2-6,22H2,1H3,(H,23,25)
• InChIKey: SLAAVRQAMMFTPT-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide?

The IUPAC name of 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide (CID 23916877) is 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide.

What is the SMILES notation for 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide?

The canonical SMILES for 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide is Cc1ccc(F)cc1NC(=O)c1sc2nc3c(cc2c1N)CCCCC3.

What is the InChIKey of 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide?

The InChIKey is SLAAVRQAMMFTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-11-7-8-13(21)10-16(11)23-19(25)18-17(22)14-9-12-5-3-2-4-6-15(12)24-20(14)26-18/h7-10H,2-6,22H2,1H3,(H,23,25).

What are the key properties of 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide?

6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide is sourced from PubChem (CID 23916877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).