9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

C13H20N2O3S — CID 72859712

IUPAC9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOCc1csc(N2CCC3(CC2)OCCCC3O)n1
InChIInChI=1S/C13H20N2O3S/c16-8-10-9-19-12(14-10)15-5-3-13(4-6-15)11(17)2-1-7-18-13/h9,11,16-17H,1-8H2
InChIKeyAOGNVMITJQUBKK-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.15
Rot. Bonds2

About 9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 72859712) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID72859712
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOCc1csc(N2CCC3(CC2)OCCCC3O)n1
InChIInChI=1S/C13H20N2O3S/c16-8-10-9-19-12(14-10)15-5-3-13(4-6-15)11(17)2-1-7-18-13/h9,11,16-17H,1-8H2
InChIKeyAOGNVMITJQUBKK-UHFFFAOYSA-N
XLogP1.15
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 72859712) is 9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is OCc1csc(N2CCC3(CC2)OCCCC3O)n1.
What is the InChIKey of 9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is AOGNVMITJQUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-8-10-9-19-12(14-10)15-5-3-13(4-6-15)11(17)2-1-7-18-13/h9,11,16-17H,1-8H2.
What are the key properties of 9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 284.38 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 72859712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).