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

C18H27N3O3S — CID 72886342

IUPAC2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)Cc3csc(C)n3)CC2)CC1=O
InChIInChI=1S/C18H27N3O3S/c1-14-19-15(12-25-14)10-16(22)20-7-4-18(5-8-20)11-17(23)21(13-18)6-3-9-24-2/h12H,3-11,13H2,1-2H3
InChIKeyYVNHSODLDDTQHP-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.87
Rot. Bonds6

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

2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72886342) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72886342
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)Cc3csc(C)n3)CC2)CC1=O
InChIInChI=1S/C18H27N3O3S/c1-14-19-15(12-25-14)10-16(22)20-7-4-18(5-8-20)11-17(23)21(13-18)6-3-9-24-2/h12H,3-11,13H2,1-2H3
InChIKeyYVNHSODLDDTQHP-UHFFFAOYSA-N
XLogP1.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.87
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-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72886342) is 2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(C(=O)Cc3csc(C)n3)CC2)CC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YVNHSODLDDTQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-19-15(12-25-14)10-16(22)20-7-4-18(5-8-20)11-17(23)21(13-18)6-3-9-24-2/h12H,3-11,13H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 365.50 g/mol, XLogP of 1.87, 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-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72886342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).