[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone

C12H16N2O3S — CID 110156088

IUPAC[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C12H16N2O3S/c15-10-2-4-14(7-12(10)3-1-5-17-12)11(16)9-6-18-8-13-9/h6,8,10,15H,1-5,7H2/t10-,12-/m0/s1
InChIKeyZMPYOGOPWAGPNQ-JQWIXIFHSA-N
MW268.34 g/mol
LogP0.90
Rot. Bonds1

About [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone

[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110156088) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110156088
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C12H16N2O3S/c15-10-2-4-14(7-12(10)3-1-5-17-12)11(16)9-6-18-8-13-9/h6,8,10,15H,1-5,7H2/t10-,12-/m0/s1
InChIKeyZMPYOGOPWAGPNQ-JQWIXIFHSA-N
XLogP0.90
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 98776893
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[4-(2-aminoethyl)phenyl]-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159649
[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone
CID 110156370
[4a-(cyclopropylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 131648579
[(4aS,8aS)-4a-(cyclopropylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 97363815
[4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 131657911
4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97450871
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110156467
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 73439865
[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124788339

Frequently Asked Questions

What is the IUPAC name of [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone (CID 110156088) is [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is ZMPYOGOPWAGPNQ-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-10-2-4-14(7-12(10)3-1-5-17-12)11(16)9-6-18-8-13-9/h6,8,10,15H,1-5,7H2/t10-,12-/m0/s1.
What are the key properties of [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 268.34 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110156088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).