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

C16H26N2O2S — CID 111457237

IUPAC3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1csc(CC)n1)CC2
InChIInChI=1S/C16H26N2O2S/c1-3-15-17-12(11-21-15)10-18-7-5-16(6-8-18)13(19)9-14(16)20-4-2/h11,13-14,19H,3-10H2,1-2H3
InChIKeyUTDIRQNIHDAAOZ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.46
Rot. Bonds5

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

3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 111457237) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID111457237
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1csc(CC)n1)CC2
InChIInChI=1S/C16H26N2O2S/c1-3-15-17-12(11-21-15)10-18-7-5-16(6-8-18)13(19)9-14(16)20-4-2/h11,13-14,19H,3-10H2,1-2H3
InChIKeyUTDIRQNIHDAAOZ-UHFFFAOYSA-N
XLogP2.46
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 111456792
3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111969522
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282
7-[(4-chlorophenyl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457307
2-[(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136907651
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 111456878
(1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 97100866
3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 133403099
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97216105
3-ethoxy-7-[(1-phenyltetrazol-5-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457359
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
CID 97216060
3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 110009097

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol (CID 111457237) is 3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(Cc1csc(CC)n1)CC2.
What is the InChIKey of 3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is UTDIRQNIHDAAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-15-17-12(11-21-15)10-18-7-5-16(6-8-18)13(19)9-14(16)20-4-2/h11,13-14,19H,3-10H2,1-2H3.
What are the key properties of 3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 310.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 111457237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).