[(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C17H25N3O3S — CID 97494892

IUPAC[(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC[C@]2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C17H25N3O3S/c21-15(14-3-1-8-23-14)19-6-2-4-17(11-19)12-20(7-9-22-13-17)16-18-5-10-24-16/h5,10,14H,1-4,6-9,11-13H2/t14-,17+/m1/s1
InChIKeyHSMQQDCVYDJSMU-PBHICJAKSA-N
MW351.47 g/mol
LogP1.77
Rot. Bonds2

About [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

[(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 97494892) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
PubChem CID97494892
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name[(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC[C@]2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C17H25N3O3S/c21-15(14-3-1-8-23-14)19-6-2-4-17(11-19)12-20(7-9-22-13-17)16-18-5-10-24-16/h5,10,14H,1-4,6-9,11-13H2/t14-,17+/m1/s1
InChIKeyHSMQQDCVYDJSMU-PBHICJAKSA-N
XLogP1.77
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-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 [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 97494892) is [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCC[C@]2(COCCN(c3nccs3)C2)C1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The InChIKey is HSMQQDCVYDJSMU-PBHICJAKSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-15(14-3-1-8-23-14)19-6-2-4-17(11-19)12-20(7-9-22-13-17)16-18-5-10-24-16/h5,10,14H,1-4,6-9,11-13H2/t14-,17+/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
[(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 351.47 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 97494892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).