2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine

C11H18N2OS — CID 79154266

IUPAC2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(C2CCOCC2)sc1CCN
InChIInChI=1S/C11H18N2OS/c1-8-10(2-5-12)15-11(13-8)9-3-6-14-7-4-9/h9H,2-7,12H2,1H3
InChIKeyHFZCXSYOVIJFER-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.85
Rot. Bonds3

About 2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine

2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 79154266) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID79154266
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(C2CCOCC2)sc1CCN
InChIInChI=1S/C11H18N2OS/c1-8-10(2-5-12)15-11(13-8)9-3-6-14-7-4-9/h9H,2-7,12H2,1H3
InChIKeyHFZCXSYOVIJFER-UHFFFAOYSA-N
XLogP1.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 79154266) is 2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(C2CCOCC2)sc1CCN.
What is the InChIKey of 2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is HFZCXSYOVIJFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-10(2-5-12)15-11(13-8)9-3-6-14-7-4-9/h9H,2-7,12H2,1H3.
What are the key properties of 2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine?
2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 226.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79154266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).