1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine

C11H20N2OS — CID 116727757

IUPAC1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCOC(c1ncc(C(C)N)s1)C(C)C
InChIInChI=1S/C11H20N2OS/c1-5-14-10(7(2)3)11-13-6-9(15-11)8(4)12/h6-8,10H,5,12H2,1-4H3
InChIKeyWENOCWRLTAJRCL-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.90
Rot. Bonds5

About 1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine

1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 116727757) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID116727757
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCOC(c1ncc(C(C)N)s1)C(C)C
InChIInChI=1S/C11H20N2OS/c1-5-14-10(7(2)3)11-13-6-9(15-11)8(4)12/h6-8,10H,5,12H2,1-4H3
InChIKeyWENOCWRLTAJRCL-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine (CID 116727757) is 1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine is CCOC(c1ncc(C(C)N)s1)C(C)C.
What is the InChIKey of 1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is WENOCWRLTAJRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-5-14-10(7(2)3)11-13-6-9(15-11)8(4)12/h6-8,10H,5,12H2,1-4H3.
What are the key properties of 1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 228.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 116727757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).