(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol

C12H18N2O2S — CID 110155828

IUPAC(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO[C@H]1CN(Cc2cscn2)CC[C@@]12CCCO2
InChIInChI=1S/C12H18N2O2S/c15-11-7-14(6-10-8-17-9-13-10)4-3-12(11)2-1-5-16-12/h8-9,11,15H,1-7H2/t11-,12-/m0/s1
InChIKeyOLJRJLUBBYTYFC-RYUDHWBXSA-N
MW254.35 g/mol
LogP1.26
Rot. Bonds2

About (5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol

(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol (PubChem CID 110155828) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol
PubChem CID110155828
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO[C@H]1CN(Cc2cscn2)CC[C@@]12CCCO2
InChIInChI=1S/C12H18N2O2S/c15-11-7-14(6-10-8-17-9-13-10)4-3-12(11)2-1-5-16-12/h8-9,11,15H,1-7H2/t11-,12-/m0/s1
InChIKeyOLJRJLUBBYTYFC-RYUDHWBXSA-N
XLogP1.26
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol (CID 110155828) is (5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol is O[C@H]1CN(Cc2cscn2)CC[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol?
The InChIKey is OLJRJLUBBYTYFC-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-11-7-14(6-10-8-17-9-13-10)4-3-12(11)2-1-5-16-12/h8-9,11,15H,1-7H2/t11-,12-/m0/s1.
What are the key properties of (5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol?
(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol has a molecular weight of 254.35 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110155828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).