N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide

C20H27N3O4S — CID 125009204

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide (PubChem CID 125009204) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide.

Molecular Properties

• Compound Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
• PubChem CID: 125009204
• Molecular Formula: C20H27N3O4S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.17
• IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
• SMILES: CCOc1ccc2nc(NC(=O)CN3CC[C@@H](OC)[C@]4(CCCO4)C3)sc2c1
• InChI: InChI=1S/C20H27N3O4S/c1-3-26-14-5-6-15-16(11-14)28-19(21-15)22-18(24)12-23-9-7-17(25-2)20(13-23)8-4-10-27-20/h5-6,11,17H,3-4,7-10,12-13H2,1-2H3,(H,21,22,24)/t17-,20+/m1/s1
• InChIKey: VAPKDIABIFCIJJ-XLIONFOSSA-N
• XLogP: 2.90
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?

The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide (CID 125009204) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide.

What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?

The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide is CCOc1ccc2nc(NC(=O)CN3CC[C@@H](OC)[C@]4(CCCO4)C3)sc2c1.

What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?

The InChIKey is VAPKDIABIFCIJJ-XLIONFOSSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-3-26-14-5-6-15-16(11-14)28-19(21-15)22-18(24)12-23-9-7-17(25-2)20(13-23)8-4-10-27-20/h5-6,11,17H,3-4,7-10,12-13H2,1-2H3,(H,21,22,24)/t17-,20+/m1/s1.

What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide is sourced from PubChem (CID 125009204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).