oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C17H25N3O2S — CID 118741023

IUPACoxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1CCOC1)N1CCC2(CCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C17H25N3O2S/c21-16(14-1-9-22-12-14)20-7-3-17(4-8-20)2-6-19(13-17)11-15-18-5-10-23-15/h5,10,14H,1-4,6-9,11-13H2
InChIKeyUEZKWBHMCCCMTG-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.99
Rot. Bonds3

About oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 118741023) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID118741023
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Nameoxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1CCOC1)N1CCC2(CCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C17H25N3O2S/c21-16(14-1-9-22-12-14)20-7-3-17(4-8-20)2-6-19(13-17)11-15-18-5-10-23-15/h5,10,14H,1-4,6-9,11-13H2
InChIKeyUEZKWBHMCCCMTG-UHFFFAOYSA-N
XLogP1.99
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 118741023) is oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(C1CCOC1)N1CCC2(CCN(Cc3nccs3)C2)CC1.
What is the InChIKey of oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is UEZKWBHMCCCMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16(14-1-9-22-12-14)20-7-3-17(4-8-20)2-6-19(13-17)11-15-18-5-10-23-15/h5,10,14H,1-4,6-9,11-13H2.
What are the key properties of oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 335.47 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 118741023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).