2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C18H26N2O3S — CID 97451819

IUPAC2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(CC1CC1)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1
InChIInChI=1S/C18H26N2O3S/c21-17(10-14-3-4-14)20-7-8-23-18(13-20)5-1-2-15(18)11-22-12-16-19-6-9-24-16/h6,9,14-15H,1-5,7-8,10-13H2/t15-,18+/m0/s1
InChIKeyZCGSJQMWMVWSNM-MAUKXSAKSA-N
MW350.48 g/mol
LogP2.86
Rot. Bonds6

About 2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 97451819) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID97451819
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(CC1CC1)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1
InChIInChI=1S/C18H26N2O3S/c21-17(10-14-3-4-14)20-7-8-23-18(13-20)5-1-2-15(18)11-22-12-16-19-6-9-24-16/h6,9,14-15H,1-5,7-8,10-13H2/t15-,18+/m0/s1
InChIKeyZCGSJQMWMVWSNM-MAUKXSAKSA-N
XLogP2.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone 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-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 97451819) is 2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is O=C(CC1CC1)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1.
What is the InChIKey of 2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is ZCGSJQMWMVWSNM-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-17(10-14-3-4-14)20-7-8-23-18(13-20)5-1-2-15(18)11-22-12-16-19-6-9-24-16/h6,9,14-15H,1-5,7-8,10-13H2/t15-,18+/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 350.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 97451819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).