2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C14H21N3OS — CID 97370133

IUPAC2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCCN1CCC2(CCN(Cc3nccs3)CC2)C1=O
InChIInChI=1S/C14H21N3OS/c1-2-17-9-5-14(13(17)18)3-7-16(8-4-14)11-12-15-6-10-19-12/h6,10H,2-5,7-9,11H2,1H3
InChIKeyHNEFLILGXKEZEA-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.98
Rot. Bonds3

About 2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370133) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370133
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCCN1CCC2(CCN(Cc3nccs3)CC2)C1=O
InChIInChI=1S/C14H21N3OS/c1-2-17-9-5-14(13(17)18)3-7-16(8-4-14)11-12-15-6-10-19-12/h6,10H,2-5,7-9,11H2,1H3
InChIKeyHNEFLILGXKEZEA-UHFFFAOYSA-N
XLogP1.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97370133) is 2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is CCN1CCC2(CCN(Cc3nccs3)CC2)C1=O.
What is the InChIKey of 2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HNEFLILGXKEZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-17-9-5-14(13(17)18)3-7-16(8-4-14)11-12-15-6-10-19-12/h6,10H,2-5,7-9,11H2,1H3.
What are the key properties of 2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 279.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).