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

C13H17N3OS — CID 176572970

IUPAC2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
SMILESCNOC(CN)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C13H17N3OS/c1-9-13(18-8-16-9)11-5-3-10(4-6-11)12(7-14)17-15-2/h3-6,8,12,15H,7,14H2,1-2H3
InChIKeyDYFYKDXBORVILC-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.27
Rot. Bonds5

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

2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine (PubChem CID 176572970) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
PubChem CID176572970
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
SMILESCNOC(CN)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C13H17N3OS/c1-9-13(18-8-16-9)11-5-3-10(4-6-11)12(7-14)17-15-2/h3-6,8,12,15H,7,14H2,1-2H3
InChIKeyDYFYKDXBORVILC-UHFFFAOYSA-N
XLogP2.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
CID 142573108
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
(1R)-2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 146179187
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
N-methyl-2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propoxy]ethoxy]ethoxy]ethanamine
CID 146179209
[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174157567
2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
CID 55016555

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The IUPAC name of 2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine (CID 176572970) is 2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine.
What is the SMILES notation for 2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The canonical SMILES for 2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine is CNOC(CN)c1ccc(-c2scnc2C)cc1.
What is the InChIKey of 2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The InChIKey is DYFYKDXBORVILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-13(18-8-16-9)11-5-3-10(4-6-11)12(7-14)17-15-2/h3-6,8,12,15H,7,14H2,1-2H3.
What are the key properties of 2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine has a molecular weight of 263.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 176572970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).