[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate

C19H15N3O5S — CID 23773542

About [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate

[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate (PubChem CID 23773542) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate.

Molecular Properties

• Compound Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate
• PubChem CID: 23773542
• Molecular Formula: C19H15N3O5S
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.07
• IUPAC Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate
• SMILES: CCOc1ccc2nc(NC(=O)COC(=O)c3ccc4ncoc4c3)sc2c1
• InChI: InChI=1S/C19H15N3O5S/c1-2-25-12-4-6-14-16(8-12)28-19(21-14)22-17(23)9-26-18(24)11-3-5-13-15(7-11)27-10-20-13/h3-8,10H,2,9H2,1H3,(H,21,22,23)
• InChIKey: CGUSKJXWMVCQIW-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 103.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate?

The IUPAC name of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate (CID 23773542) is [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate.

What is the SMILES notation for [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate?

The canonical SMILES for [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate is CCOc1ccc2nc(NC(=O)COC(=O)c3ccc4ncoc4c3)sc2c1.

What is the InChIKey of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate?

The InChIKey is CGUSKJXWMVCQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5S/c1-2-25-12-4-6-14-16(8-12)28-19(21-14)22-17(23)9-26-18(24)11-3-5-13-15(7-11)27-10-20-13/h3-8,10H,2,9H2,1H3,(H,21,22,23).

What are the key properties of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate?

[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate has a molecular weight of 397.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-6-carboxylate is sourced from PubChem (CID 23773542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).