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

C13H16N2OS — CID 130949962

IUPAC1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(COCc2ccccc2)s1
InChIInChI=1S/C13H16N2OS/c1-10(14)12-7-15-13(17-12)9-16-8-11-5-3-2-4-6-11/h2-7,10H,8-9,14H2,1H3
InChIKeyJUWIZJFOLATEOR-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.88
Rot. Bonds5

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

1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 130949962) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID130949962
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(COCc2ccccc2)s1
InChIInChI=1S/C13H16N2OS/c1-10(14)12-7-15-13(17-12)9-16-8-11-5-3-2-4-6-11/h2-7,10H,8-9,14H2,1H3
InChIKeyJUWIZJFOLATEOR-UHFFFAOYSA-N
XLogP2.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole
CID 146604365
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
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1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
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1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine
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5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine
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1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine
CID 115091505
1-[2-(2-phenylethyl)-1,3-thiazol-5-yl]ethanol
CID 62651396
ethane;phenylmethoxymethylbenzene
CID 90943549
CID 66734377
CID 66734377
N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62444643
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CID 70181699

Frequently Asked Questions

What is the IUPAC name of 1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 130949962) is 1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(COCc2ccccc2)s1.
What is the InChIKey of 1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is JUWIZJFOLATEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(14)12-7-15-13(17-12)9-16-8-11-5-3-2-4-6-11/h2-7,10H,8-9,14H2,1H3.
What are the key properties of 1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 130949962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).