[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate

C19H15N3O5S — CID 23916073

About [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate

[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate (PubChem CID 23916073) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate.

Molecular Properties

• Compound Name: [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
• PubChem CID: 23916073
• Molecular Formula: C19H15N3O5S
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.07
• IUPAC Name: [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
• SMILES: COc1ccc2nc(NC(=O)C(C)OC(=O)c3ccc4ocnc4c3)sc2c1
• InChI: InChI=1S/C19H15N3O5S/c1-10(27-18(24)11-3-6-15-14(7-11)20-9-26-15)17(23)22-19-21-13-5-4-12(25-2)8-16(13)28-19/h3-10H,1-2H3,(H,21,22,23)
• InChIKey: MJCFJKISLVOEGP-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 103.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• 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 [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate?

The IUPAC name of [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate (CID 23916073) is [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate.

What is the SMILES notation for [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate?

The canonical SMILES for [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate is COc1ccc2nc(NC(=O)C(C)OC(=O)c3ccc4ocnc4c3)sc2c1.

What is the InChIKey of [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate?

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

What are the key properties of [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate?

[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate has a molecular weight of 397.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 23916073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).