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

C20H26N4O4S — CID 110167208

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide
SMILESCOC1CCN(CC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)CC12CCCO2
InChIInChI=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)
InChIKeyLOTQOUGSBSQGTO-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.46
Rot. Bonds5

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

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide (PubChem CID 110167208) 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-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide
PubChem CID110167208
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide
SMILESCOC1CCN(CC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)CC12CCCO2
InChIInChI=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)
InChIKeyLOTQOUGSBSQGTO-UHFFFAOYSA-N
XLogP2.46
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 110167305
2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 124939739
N-[4-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025487
N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025484
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
CID 124982967
N-(2-methoxy-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002684
N-(2-methoxy-5-methylphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002685
N-(2-fluoro-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 110162122
N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 125013799
2-(2,2-dimethylmorpholin-4-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 37403117

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(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-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide (CID 110167208) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(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-(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-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide is COC1CCN(CC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)CC12CCCO2.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide?
The InChIKey is LOTQOUGSBSQGTO-UHFFFAOYSA-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).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(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-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide is sourced from PubChem (CID 110167208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).