[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone

C15H22N2O3S — CID 131642458

IUPAC[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCOCCC1CCOC2(C1)CN(C(=O)c1cscn1)C2
InChIInChI=1S/C15H22N2O3S/c1-2-19-5-3-12-4-6-20-15(7-12)9-17(10-15)14(18)13-8-21-11-16-13/h8,11-12H,2-7,9-10H2,1H3
InChIKeyVOOVFKWAPQBSNS-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.19
Rot. Bonds5

About [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone

[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 131642458) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID131642458
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCOCCC1CCOC2(C1)CN(C(=O)c1cscn1)C2
InChIInChI=1S/C15H22N2O3S/c1-2-19-5-3-12-4-6-20-15(7-12)9-17(10-15)14(18)13-8-21-11-16-13/h8,11-12H,2-7,9-10H2,1H3
InChIKeyVOOVFKWAPQBSNS-UHFFFAOYSA-N
XLogP2.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 133144911
cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692810
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone
CID 131692948
1-[(8R)-8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-fluorophenoxy)ethanone
CID 124869912
[(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124795839
[8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 131639064
[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131645055
[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124796712
1-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124801146
4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97450871
(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 102737670
cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787528

Frequently Asked Questions

What is the IUPAC name of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 131642458) is [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone is CCOCCC1CCOC2(C1)CN(C(=O)c1cscn1)C2.
What is the InChIKey of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is VOOVFKWAPQBSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-19-5-3-12-4-6-20-15(7-12)9-17(10-15)14(18)13-8-21-11-16-13/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 310.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131642458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).