2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

C15H21NO2S — CID 79819568

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
SMILESCC(C)(C)c1csc(CC(=O)C2CC3CCC2O3)n1
InChIInChI=1S/C15H21NO2S/c1-15(2,3)13-8-19-14(16-13)7-11(17)10-6-9-4-5-12(10)18-9/h8-10,12H,4-7H2,1-3H3
InChIKeyIBSJLURIGDXWKC-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.12
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone (PubChem CID 79819568) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
PubChem CID79819568
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
SMILESCC(C)(C)c1csc(CC(=O)C2CC3CCC2O3)n1
InChIInChI=1S/C15H21NO2S/c1-15(2,3)13-8-19-14(16-13)7-11(17)10-6-9-4-5-12(10)18-9/h8-10,12H,4-7H2,1-3H3
InChIKeyIBSJLURIGDXWKC-UHFFFAOYSA-N
XLogP3.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone with MolForge

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79820523
1-[2-(aminomethyl)cyclohexyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116584612
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone
CID 116547629
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(thiolan-3-yl)ethanone
CID 105118311
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79825572
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethylpentan-2-one
CID 115786943
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one
CID 79820106
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 79820340
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one
CID 115787037
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone (CID 79819568) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone is CC(C)(C)c1csc(CC(=O)C2CC3CCC2O3)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The InChIKey is IBSJLURIGDXWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(2,3)13-8-19-14(16-13)7-11(17)10-6-9-4-5-12(10)18-9/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone has a molecular weight of 279.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone is sourced from PubChem (CID 79819568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).