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

C20H26N4O4S — CID 124977738

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

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide (PubChem CID 124977738) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide.

Molecular Properties

• Compound Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
• PubChem CID: 124977738
• Molecular Formula: C20H26N4O4S
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.17
• IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
• SMILES: CO[C@H]1CCN(CC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)C[C@]12CCCO2
• InChI: InChI=1S/C20H26N4O4S/c1-13(25)21-14-4-5-15-16(10-14)29-19(22-15)23-18(26)11-24-8-6-17(27-2)20(12-24)7-3-9-28-20/h4-5,10,17H,3,6-9,11-12H2,1-2H3,(H,21,25)(H,22,23,26)/t17-,20+/m0/s1
• InChIKey: LOTQOUGSBSQGTO-FXAWDEMLSA-N
• XLogP: 2.46
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide (CID 124977738) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide.

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

The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide is CO[C@H]1CCN(CC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)C[C@]12CCCO2.

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

The InChIKey is LOTQOUGSBSQGTO-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-13(25)21-14-4-5-15-16(10-14)29-19(22-15)23-18(26)11-24-8-6-17(27-2)20(12-24)7-3-9-28-20/h4-5,10,17H,3,6-9,11-12H2,1-2H3,(H,21,25)(H,22,23,26)/t17-,20+/m0/s1.

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

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide is sourced from PubChem (CID 124977738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).