2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C17H27N3O2S — CID 72880609

IUPAC2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(Cc3csc(C)n3)CC2)CC1=O
InChIInChI=1S/C17H27N3O2S/c1-14-18-15(12-23-14)11-19-7-4-17(5-8-19)10-16(21)20(13-17)6-3-9-22-2/h12H,3-11,13H2,1-2H3
InChIKeyKKABNYWUZSCYLZ-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.30
Rot. Bonds6

About 2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72880609) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72880609
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(Cc3csc(C)n3)CC2)CC1=O
InChIInChI=1S/C17H27N3O2S/c1-14-18-15(12-23-14)11-19-7-4-17(5-8-19)10-16(21)20(13-17)6-3-9-22-2/h12H,3-11,13H2,1-2H3
InChIKeyKKABNYWUZSCYLZ-UHFFFAOYSA-N
XLogP2.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72880609) is 2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(Cc3csc(C)n3)CC2)CC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KKABNYWUZSCYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-14-18-15(12-23-14)11-19-7-4-17(5-8-19)10-16(21)20(13-17)6-3-9-22-2/h12H,3-11,13H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 337.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72880609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).