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

C15H24N2OS — CID 79820523

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCC(C)(C)c1csc(CC(N)C2CC3CCC2O3)n1
InChIInChI=1S/C15H24N2OS/c1-15(2,3)13-8-19-14(17-13)7-11(16)10-6-9-4-5-12(10)18-9/h8-12H,4-7,16H2,1-3H3
InChIKeyAFLPKBKBXODUMF-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.88
Rot. Bonds3

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

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 79820523) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID79820523
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCC(C)(C)c1csc(CC(N)C2CC3CCC2O3)n1
InChIInChI=1S/C15H24N2OS/c1-15(2,3)13-8-19-14(17-13)7-11(16)10-6-9-4-5-12(10)18-9/h8-12H,4-7,16H2,1-3H3
InChIKeyAFLPKBKBXODUMF-UHFFFAOYSA-N
XLogP2.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79825572
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
CID 79819568
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107190144
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963922
2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107049273
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319
[2-(2-methyl-1,3-thiazol-4-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221717
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine
CID 81010240
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
CID 105015928
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170

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)ethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 79820523) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is CC(C)(C)c1csc(CC(N)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)ethanamine?
The InChIKey is AFLPKBKBXODUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-15(2,3)13-8-19-14(17-13)7-11(16)10-6-9-4-5-12(10)18-9/h8-12H,4-7,16H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 280.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 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)ethanamine is sourced from PubChem (CID 79820523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).