2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone

C15H23N3O2S — CID 3233752

IUPAC2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H23N3O2S/c1-20-10-14(19)18-6-2-3-15(12-18)4-7-17(11-15)9-13-16-5-8-21-13/h5,8H,2-4,6-7,9-12H2,1H3/t15-/m0/s1
InChIKeyZHTOOGAVYDSDTB-HNNXBMFYSA-N
MW309.43 g/mol
LogP1.60
Rot. Bonds4

About 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone

2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone (PubChem CID 3233752) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
PubChem CID3233752
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H23N3O2S/c1-20-10-14(19)18-6-2-3-15(12-18)4-7-17(11-15)9-13-16-5-8-21-13/h5,8H,2-4,6-7,9-12H2,1H3/t15-/m0/s1
InChIKeyZHTOOGAVYDSDTB-HNNXBMFYSA-N
XLogP1.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone (CID 3233752) is 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone is COCC(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The InChIKey is ZHTOOGAVYDSDTB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-20-10-14(19)18-6-2-3-15(12-18)4-7-17(11-15)9-13-16-5-8-21-13/h5,8H,2-4,6-7,9-12H2,1H3/t15-/m0/s1.
What are the key properties of 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone has a molecular weight of 309.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone is sourced from PubChem (CID 3233752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).