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

C21H27N3O3S — CID 124939739

IUPAC2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCO[C@@H]1CCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@]12CCCO2
InChIInChI=1S/C21H27N3O3S/c1-15-22-18(13-28-15)16-5-3-6-17(11-16)23-20(25)12-24-9-7-19(26-2)21(14-24)8-4-10-27-21/h3,5-6,11,13,19H,4,7-10,12,14H2,1-2H3,(H,23,25)/t19-,21+/m1/s1
InChIKeyABOHWWWRQNUZOM-CTNGQTDRSA-N
MW401.53 g/mol
LogP3.33
Rot. Bonds5

About 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

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 (PubChem CID 124939739) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID124939739
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCO[C@@H]1CCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@]12CCCO2
InChIInChI=1S/C21H27N3O3S/c1-15-22-18(13-28-15)16-5-3-6-17(11-16)23-20(25)12-24-9-7-19(26-2)21(14-24)8-4-10-27-21/h3,5-6,11,13,19H,4,7-10,12,14H2,1-2H3,(H,23,25)/t19-,21+/m1/s1
InChIKeyABOHWWWRQNUZOM-CTNGQTDRSA-N
XLogP3.33
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 46807539
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
CID 124982967
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-acetamido-1,3-benzothiazol-2-yl)-2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide
CID 110167208
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-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025484
N-(2-fluoro-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 110162122
N-[4-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025487
N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 110167305
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111427212
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26648669

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@@H]1CCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@]12CCCO2.
What is the InChIKey of 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?
The InChIKey is ABOHWWWRQNUZOM-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-15-22-18(13-28-15)16-5-3-6-17(11-16)23-20(25)12-24-9-7-19(26-2)21(14-24)8-4-10-27-21/h3,5-6,11,13,19H,4,7-10,12,14H2,1-2H3,(H,23,25)/t19-,21+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 401.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124939739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).