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

C13H19N3OS — CID 97393149

IUPAC2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(Cc3nccs3)CC2)C1=O
InChIInChI=1S/C13H19N3OS/c1-15-6-2-13(12(15)17)3-7-16(8-4-13)10-11-14-5-9-18-11/h5,9H,2-4,6-8,10H2,1H3
InChIKeyIGDDKEJUPXLHRJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.59
Rot. Bonds2

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

2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97393149) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97393149
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(Cc3nccs3)CC2)C1=O
InChIInChI=1S/C13H19N3OS/c1-15-6-2-13(12(15)17)3-7-16(8-4-13)10-11-14-5-9-18-11/h5,9H,2-4,6-8,10H2,1H3
InChIKeyIGDDKEJUPXLHRJ-UHFFFAOYSA-N
XLogP1.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97393149) is 2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(Cc3nccs3)CC2)C1=O.
What is the InChIKey of 2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is IGDDKEJUPXLHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-15-6-2-13(12(15)17)3-7-16(8-4-13)10-11-14-5-9-18-11/h5,9H,2-4,6-8,10H2,1H3.
What are the key properties of 2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 265.38 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97393149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).