2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone

C15H22N2O2S2 — CID 72873109

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone
SMILESCCSc1nc(CC(=O)N2CCCC3(CCOC3)C2)cs1
InChIInChI=1S/C15H22N2O2S2/c1-2-20-14-16-12(9-21-14)8-13(18)17-6-3-4-15(10-17)5-7-19-11-15/h9H,2-8,10-11H2,1H3
InChIKeyBTENMGOQCOYWTL-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.83
Rot. Bonds4

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone (PubChem CID 72873109) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone
PubChem CID72873109
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone
SMILESCCSc1nc(CC(=O)N2CCCC3(CCOC3)C2)cs1
InChIInChI=1S/C15H22N2O2S2/c1-2-20-14-16-12(9-21-14)8-13(18)17-6-3-4-15(10-17)5-7-19-11-15/h9H,2-8,10-11H2,1H3
InChIKeyBTENMGOQCOYWTL-UHFFFAOYSA-N
XLogP2.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone (CID 72873109) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone is CCSc1nc(CC(=O)N2CCCC3(CCOC3)C2)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is BTENMGOQCOYWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-2-20-14-16-12(9-21-14)8-13(18)17-6-3-4-15(10-17)5-7-19-11-15/h9H,2-8,10-11H2,1H3.
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 326.49 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 72873109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).