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

C17H27N3O2S — CID 97375574

IUPAC(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2nccs2)CCC[C@]12CCC(=O)N2CCOC
InChIInChI=1S/C17H27N3O2S/c1-3-14-17(7-5-16(21)20(17)10-11-22-2)6-4-9-19(14)13-15-18-8-12-23-15/h8,12,14H,3-7,9-11,13H2,1-2H3/t14-,17-/m0/s1
InChIKeyBOTDFMLPTFNSJV-YOEHRIQHSA-N
MW337.49 g/mol
LogP2.53
Rot. Bonds6

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

(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375574) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375574
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2nccs2)CCC[C@]12CCC(=O)N2CCOC
InChIInChI=1S/C17H27N3O2S/c1-3-14-17(7-5-16(21)20(17)10-11-22-2)6-4-9-19(14)13-15-18-8-12-23-15/h8,12,14H,3-7,9-11,13H2,1-2H3/t14-,17-/m0/s1
InChIKeyBOTDFMLPTFNSJV-YOEHRIQHSA-N
XLogP2.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97375574) is (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2nccs2)CCC[C@]12CCC(=O)N2CCOC.
What is the InChIKey of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is BOTDFMLPTFNSJV-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-3-14-17(7-5-16(21)20(17)10-11-22-2)6-4-9-19(14)13-15-18-8-12-23-15/h8,12,14H,3-7,9-11,13H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 337.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).