9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane

C16H27N3O2S — CID 97491901

IUPAC9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCC2(CC1)COCCN2Cc1csc(C)n1
InChIInChI=1S/C16H27N3O2S/c1-14-17-15(12-22-14)11-19-8-10-21-13-16(19)3-5-18(6-4-16)7-9-20-2/h12H,3-11,13H2,1-2H3
InChIKeyZXTMQAYMKNGVMU-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.76
Rot. Bonds5

About 9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane

9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97491901) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97491901
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCC2(CC1)COCCN2Cc1csc(C)n1
InChIInChI=1S/C16H27N3O2S/c1-14-17-15(12-22-14)11-19-8-10-21-13-16(19)3-5-18(6-4-16)7-9-20-2/h12H,3-11,13H2,1-2H3
InChIKeyZXTMQAYMKNGVMU-UHFFFAOYSA-N
XLogP1.76
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97491901) is 9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is COCCN1CCC2(CC1)COCCN2Cc1csc(C)n1.
What is the InChIKey of 9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is ZXTMQAYMKNGVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-14-17-15(12-22-14)11-19-8-10-21-13-16(19)3-5-18(6-4-16)7-9-20-2/h12H,3-11,13H2,1-2H3.
What are the key properties of 9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 325.48 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97491901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).