2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C15H23N3OS — CID 70767551

IUPAC2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1cscn1)CC2
InChIInChI=1S/C15H23N3OS/c1-2-18-11-15(4-3-14(18)19)5-7-17(8-6-15)9-13-10-20-12-16-13/h10,12H,2-9,11H2,1H3
InChIKeyAEBPCBQZVKJKOJ-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.37
Rot. Bonds3

About 2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70767551) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70767551
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1cscn1)CC2
InChIInChI=1S/C15H23N3OS/c1-2-18-11-15(4-3-14(18)19)5-7-17(8-6-15)9-13-10-20-12-16-13/h10,12H,2-9,11H2,1H3
InChIKeyAEBPCBQZVKJKOJ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70767551) is 2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(Cc1cscn1)CC2.
What is the InChIKey of 2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AEBPCBQZVKJKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-2-18-11-15(4-3-14(18)19)5-7-17(8-6-15)9-13-10-20-12-16-13/h10,12H,2-9,11H2,1H3.
What are the key properties of 2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 293.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70767551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).