1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

C16H25N3O2S — CID 118745103

IUPAC1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(Cc1nccs1)CC2
InChIInChI=1S/C16H25N3O2S/c1-21-11-10-19-15(20)3-5-16(19)4-2-8-18(9-6-16)13-14-17-7-12-22-14/h7,12H,2-6,8-11,13H2,1H3
InChIKeyGRHLFVFJEVECBW-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.14
Rot. Bonds5

About 1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 118745103) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID118745103
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(Cc1nccs1)CC2
InChIInChI=1S/C16H25N3O2S/c1-21-11-10-19-15(20)3-5-16(19)4-2-8-18(9-6-16)13-14-17-7-12-22-14/h7,12H,2-6,8-11,13H2,1H3
InChIKeyGRHLFVFJEVECBW-UHFFFAOYSA-N
XLogP2.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 118745103) is 1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is COCCN1C(=O)CCC12CCCN(Cc1nccs1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is GRHLFVFJEVECBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-21-11-10-19-15(20)3-5-16(19)4-2-8-18(9-6-16)13-14-17-7-12-22-14/h7,12H,2-6,8-11,13H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 323.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 118745103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).