[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C13H18N2O3S — CID 110159496

IUPAC[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCO[C@H]1CN(C(=O)c2scnc2C)C[C@@]12CCCO2
InChIInChI=1S/C13H18N2O3S/c1-9-11(19-8-14-9)12(16)15-6-10(17-2)13(7-15)4-3-5-18-13/h8,10H,3-7H2,1-2H3/t10-,13-/m0/s1
InChIKeyVBKVLUOQLKYFRE-GWCFXTLKSA-N
MW282.36 g/mol
LogP1.47
Rot. Bonds2

About [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 110159496) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID110159496
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCO[C@H]1CN(C(=O)c2scnc2C)C[C@@]12CCCO2
InChIInChI=1S/C13H18N2O3S/c1-9-11(19-8-14-9)12(16)15-6-10(17-2)13(7-15)4-3-5-18-13/h8,10H,3-7H2,1-2H3/t10-,13-/m0/s1
InChIKeyVBKVLUOQLKYFRE-GWCFXTLKSA-N
XLogP1.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
CID 110159393
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 110156468
(1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 110156922
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47281792
1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 110156724
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103727188
1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 110156977
[2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159672
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone
CID 110155717
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56819367
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
CID 110156841
(4-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940

Frequently Asked Questions

What is the IUPAC name of [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 110159496) is [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is CO[C@H]1CN(C(=O)c2scnc2C)C[C@@]12CCCO2.
What is the InChIKey of [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is VBKVLUOQLKYFRE-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-11(19-8-14-9)12(16)15-6-10(17-2)13(7-15)4-3-5-18-13/h8,10H,3-7H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 282.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110159496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).