3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol

C15H24N2O2S — CID 71971879

IUPAC3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1nc(C)cs1)CC2
InChIInChI=1S/C15H24N2O2S/c1-3-19-13-8-12(18)15(13)4-6-17(7-5-15)9-14-16-11(2)10-20-14/h10,12-13,18H,3-9H2,1-2H3
InChIKeyOIBJECREJFKHGP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.20
Rot. Bonds4

About 3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol

3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 71971879) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID71971879
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1nc(C)cs1)CC2
InChIInChI=1S/C15H24N2O2S/c1-3-19-13-8-12(18)15(13)4-6-17(7-5-15)9-14-16-11(2)10-20-14/h10,12-13,18H,3-9H2,1-2H3
InChIKeyOIBJECREJFKHGP-UHFFFAOYSA-N
XLogP2.20
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol (CID 71971879) is 3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(Cc1nc(C)cs1)CC2.
What is the InChIKey of 3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is OIBJECREJFKHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-19-13-8-12(18)15(13)4-6-17(7-5-15)9-14-16-11(2)10-20-14/h10,12-13,18H,3-9H2,1-2H3.
What are the key properties of 3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 296.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 71971879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).