(5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane

C16H23N3O2S — CID 110159702

IUPAC(5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCO[C@H]1CCN(Cc2c(C)nc3sccn23)C[C@@]12CCCO2
InChIInChI=1S/C16H23N3O2S/c1-12-13(19-7-9-22-15(19)17-12)10-18-6-4-14(20-2)16(11-18)5-3-8-21-16/h7,9,14H,3-6,8,10-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyVEDLLMIMEWNXOI-HOCLYGCPSA-N
MW321.45 g/mol
LogP2.47
Rot. Bonds3

About (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane

(5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane (PubChem CID 110159702) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
PubChem CID110159702
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCO[C@H]1CCN(Cc2c(C)nc3sccn23)C[C@@]12CCCO2
InChIInChI=1S/C16H23N3O2S/c1-12-13(19-7-9-22-15(19)17-12)10-18-6-4-14(20-2)16(11-18)5-3-8-21-16/h7,9,14H,3-6,8,10-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyVEDLLMIMEWNXOI-HOCLYGCPSA-N
XLogP2.47
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane 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 (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane (CID 110159702) is (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane is CO[C@H]1CCN(Cc2c(C)nc3sccn23)C[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is VEDLLMIMEWNXOI-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-13(19-7-9-22-15(19)17-12)10-18-6-4-14(20-2)16(11-18)5-3-8-21-16/h7,9,14H,3-6,8,10-11H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
(5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 321.45 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methoxy-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 110159702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).