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

C15H23N3OS — CID 118745442

IUPAC1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCCN1C(=O)CCC12CCCN(Cc1nccs1)CC2
InChIInChI=1S/C15H23N3OS/c1-2-18-14(19)4-6-15(18)5-3-9-17(10-7-15)12-13-16-8-11-20-13/h8,11H,2-7,9-10,12H2,1H3
InChIKeyOBNPDFDEQIXXSX-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.51
Rot. Bonds3

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

1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 118745442) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID118745442
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCCN1C(=O)CCC12CCCN(Cc1nccs1)CC2
InChIInChI=1S/C15H23N3OS/c1-2-18-14(19)4-6-15(18)5-3-9-17(10-7-15)12-13-16-8-11-20-13/h8,11H,2-7,9-10,12H2,1H3
InChIKeyOBNPDFDEQIXXSX-UHFFFAOYSA-N
XLogP2.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 118745442) is 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is CCN1C(=O)CCC12CCCN(Cc1nccs1)CC2.
What is the InChIKey of 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is OBNPDFDEQIXXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-2-18-14(19)4-6-15(18)5-3-9-17(10-7-15)12-13-16-8-11-20-13/h8,11H,2-7,9-10,12H2,1H3.
What are the key properties of 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 293.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 118745442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).