8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol

C12H18N2O2S — CID 74242939

IUPAC8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1COC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C12H18N2O2S/c15-10-7-12(16-9-10)1-4-14(5-2-12)8-11-13-3-6-17-11/h3,6,10,15H,1-2,4-5,7-9H2
InChIKeyTXFLMJIIZYZWLK-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.26
Rot. Bonds2

About 8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol

8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol (PubChem CID 74242939) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol
PubChem CID74242939
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1COC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C12H18N2O2S/c15-10-7-12(16-9-10)1-4-14(5-2-12)8-11-13-3-6-17-11/h3,6,10,15H,1-2,4-5,7-9H2
InChIKeyTXFLMJIIZYZWLK-UHFFFAOYSA-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 8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of 8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol (CID 74242939) is 8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol is OC1COC2(CCN(Cc3nccs3)CC2)C1.
What is the InChIKey of 8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
The InChIKey is TXFLMJIIZYZWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-10-7-12(16-9-10)1-4-14(5-2-12)8-11-13-3-6-17-11/h3,6,10,15H,1-2,4-5,7-9H2.
What are the key properties of 8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-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 8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 74242939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).