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

C12H14N2OS — CID 94686224

IUPAC2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNCCc1cnc(COc2ccccc2)s1
InChIInChI=1S/C12H14N2OS/c13-7-6-11-8-14-12(16-11)9-15-10-4-2-1-3-5-10/h1-5,8H,6-7,9,13H2
InChIKeyMOJHJCBRIIJPIM-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.22
Rot. Bonds5

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

2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 94686224) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID94686224
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNCCc1cnc(COc2ccccc2)s1
InChIInChI=1S/C12H14N2OS/c13-7-6-11-8-14-12(16-11)9-15-10-4-2-1-3-5-10/h1-5,8H,6-7,9,13H2
InChIKeyMOJHJCBRIIJPIM-UHFFFAOYSA-N
XLogP2.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 94686224) is 2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine is NCCc1cnc(COc2ccccc2)s1.
What is the InChIKey of 2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is MOJHJCBRIIJPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-7-6-11-8-14-12(16-11)9-15-10-4-2-1-3-5-10/h1-5,8H,6-7,9,13H2.
What are the key properties of 2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine?
2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 234.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 94686224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).