2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine

C13H22N2OS2 — CID 79963922

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine
SMILESCC(C)(C)c1csc(CC(N)C2CSCCO2)n1
InChIInChI=1S/C13H22N2OS2/c1-13(2,3)11-8-18-12(15-11)6-9(14)10-7-17-5-4-16-10/h8-10H,4-7,14H2,1-3H3
InChIKeyZJARMABOUXZGAT-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.44
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 79963922) has the molecular formula C13H22N2OS2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID79963922
Molecular FormulaC13H22N2OS2
Molecular Weight286.47 g/mol
Exact Mass286.12
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine
SMILESCC(C)(C)c1csc(CC(N)C2CSCCO2)n1
InChIInChI=1S/C13H22N2OS2/c1-13(2,3)11-8-18-12(15-11)6-9(14)10-7-17-5-4-16-10/h8-10H,4-7,14H2,1-3H3
InChIKeyZJARMABOUXZGAT-UHFFFAOYSA-N
XLogP2.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine (CID 79963922) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine is CC(C)(C)c1csc(CC(N)C2CSCCO2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is ZJARMABOUXZGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS2/c1-13(2,3)11-8-18-12(15-11)6-9(14)10-7-17-5-4-16-10/h8-10H,4-7,14H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 286.47 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 79963922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).