2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

C17H26N2O3S2 — CID 72853278

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCCSc1nc(CC(=O)N2CCC3(CC2)OCCCC3OC)cs1
InChIInChI=1S/C17H26N2O3S2/c1-3-23-16-18-13(12-24-16)11-15(20)19-8-6-17(7-9-19)14(21-2)5-4-10-22-17/h12,14H,3-11H2,1-2H3
InChIKeyUCKRDIKNTLOVKZ-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.98
Rot. Bonds5

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 72853278) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
PubChem CID72853278
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCCSc1nc(CC(=O)N2CCC3(CC2)OCCCC3OC)cs1
InChIInChI=1S/C17H26N2O3S2/c1-3-23-16-18-13(12-24-16)11-15(20)19-8-6-17(7-9-19)14(21-2)5-4-10-22-17/h12,14H,3-11H2,1-2H3
InChIKeyUCKRDIKNTLOVKZ-UHFFFAOYSA-N
XLogP2.98
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (CID 72853278) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is CCSc1nc(CC(=O)N2CCC3(CC2)OCCCC3OC)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is UCKRDIKNTLOVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-3-23-16-18-13(12-24-16)11-15(20)19-8-6-17(7-9-19)14(21-2)5-4-10-22-17/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 370.54 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 72853278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).