(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

C15H22N2O3S — CID 131660523

IUPAC(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCCOC1COC2(CCN(C(=O)c3csc(C)n3)CC2)C1
InChIInChI=1S/C15H22N2O3S/c1-3-19-12-8-15(20-9-12)4-6-17(7-5-15)14(18)13-10-21-11(2)16-13/h10,12H,3-9H2,1-2H3
InChIKeyPZMSXUHYYOSMBK-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.25
Rot. Bonds3

About (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 131660523) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID131660523
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCCOC1COC2(CCN(C(=O)c3csc(C)n3)CC2)C1
InChIInChI=1S/C15H22N2O3S/c1-3-19-12-8-15(20-9-12)4-6-17(7-5-15)14(18)13-10-21-11(2)16-13/h10,12H,3-9H2,1-2H3
InChIKeyPZMSXUHYYOSMBK-UHFFFAOYSA-N
XLogP2.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-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

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 131660523) is (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is CCOC1COC2(CCN(C(=O)c3csc(C)n3)CC2)C1.
What is the InChIKey of (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is PZMSXUHYYOSMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-19-12-8-15(20-9-12)4-6-17(7-5-15)14(18)13-10-21-11(2)16-13/h10,12H,3-9H2,1-2H3.
What are the key properties of (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 310.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131660523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).