(5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C15H23N3OS — CID 125249461

IUPAC(5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2nccs2)CCC[C@@]12CCC(=O)N2C
InChIInChI=1S/C15H23N3OS/c1-3-12-15(7-5-14(19)17(15)2)6-4-9-18(12)11-13-16-8-10-20-13/h8,10,12H,3-7,9,11H2,1-2H3/t12-,15+/m0/s1
InChIKeyMYOITUAJOJTGDG-SWLSCSKDSA-N
MW293.44 g/mol
LogP2.51
Rot. Bonds3

About (5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

(5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 125249461) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID125249461
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2nccs2)CCC[C@@]12CCC(=O)N2C
InChIInChI=1S/C15H23N3OS/c1-3-12-15(7-5-14(19)17(15)2)6-4-9-18(12)11-13-16-8-10-20-13/h8,10,12H,3-7,9,11H2,1-2H3/t12-,15+/m0/s1
InChIKeyMYOITUAJOJTGDG-SWLSCSKDSA-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 (5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 125249461) is (5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2nccs2)CCC[C@@]12CCC(=O)N2C.
What is the InChIKey of (5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is MYOITUAJOJTGDG-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-12-15(7-5-14(19)17(15)2)6-4-9-18(12)11-13-16-8-10-20-13/h8,10,12H,3-7,9,11H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of (5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-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 (5R,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 125249461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).