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

C15H23N3O2S — CID 72921100

IUPAC2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(c3nccs3)CC2)CC1=O
InChIInChI=1S/C15H23N3O2S/c1-20-9-2-6-18-12-15(11-13(18)19)3-7-17(8-4-15)14-16-5-10-21-14/h5,10H,2-4,6-9,11-12H2,1H3
InChIKeyUATMLAILDXHFSJ-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.00
Rot. Bonds5

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

2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72921100) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72921100
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(c3nccs3)CC2)CC1=O
InChIInChI=1S/C15H23N3O2S/c1-20-9-2-6-18-12-15(11-13(18)19)3-7-17(8-4-15)14-16-5-10-21-14/h5,10H,2-4,6-9,11-12H2,1H3
InChIKeyUATMLAILDXHFSJ-UHFFFAOYSA-N
XLogP2.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one (CID 72921100) is 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(c3nccs3)CC2)CC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UATMLAILDXHFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-20-9-2-6-18-12-15(11-13(18)19)3-7-17(8-4-15)14-16-5-10-21-14/h5,10H,2-4,6-9,11-12H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 309.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72921100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).