[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone

C13H18N2O4S — CID 163317334

IUPAC[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O
InChIInChI=1S/C13H18N2O4S/c16-9-1-6-19-13(11(9)17)2-4-15(5-3-13)12(18)10-7-14-8-20-10/h7-9,11,16-17H,1-6H2/t9-,11-/m0/s1
InChIKeyCSURZOQVAHYMQF-ONGXEEELSA-N
MW298.36 g/mol
LogP0.26
Rot. Bonds1

About [(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone

[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 163317334) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is [(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID163317334
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O
InChIInChI=1S/C13H18N2O4S/c16-9-1-6-19-13(11(9)17)2-4-15(5-3-13)12(18)10-7-14-8-20-10/h7-9,11,16-17H,1-6H2/t9-,11-/m0/s1
InChIKeyCSURZOQVAHYMQF-ONGXEEELSA-N
XLogP0.26
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
CID 103860774
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124962828
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
CID 110159393
8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 113246543
(9-oxo-9-phenylimino-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)-(1,3-thiazol-5-yl)methanone
CID 146114622
[(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone
CID 124991511
(4-pyridin-2-ylpiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95828576
[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110110951
3-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1-methylquinolin-2-one
CID 164693779
1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 165417299
(4-pyrazin-2-yloxypiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95811378
[3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 163318255

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone (CID 163317334) is [(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O.
What is the InChIKey of [(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is CSURZOQVAHYMQF-ONGXEEELSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-9-1-6-19-13(11(9)17)2-4-15(5-3-13)12(18)10-7-14-8-20-10/h7-9,11,16-17H,1-6H2/t9-,11-/m0/s1.
What are the key properties of [(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone?
[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 298.36 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 163317334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).