2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine

C13H16N2OS — CID 28709823

IUPAC2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(C)cc1-c1ncsc1CCN
InChIInChI=1S/C13H16N2OS/c1-9-3-4-11(16-2)10(7-9)13-12(5-6-14)17-8-15-13/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyYDVSXVKMWDCYSR-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine

2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 28709823) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID28709823
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(C)cc1-c1ncsc1CCN
InChIInChI=1S/C13H16N2OS/c1-9-3-4-11(16-2)10(7-9)13-12(5-6-14)17-8-15-13/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyYDVSXVKMWDCYSR-UHFFFAOYSA-N
XLogP2.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 39363228
2-[5-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82296518
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
CID 82391060
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
CID 137354597
2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106793197
5-(2-chloroethyl)-4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazole
CID 28710063
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
5-(2-methoxy-5-methylphenyl)-1,2-thiazol-3-amine
CID 83910475
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 82087185

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine (CID 28709823) is 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine is COc1ccc(C)cc1-c1ncsc1CCN.
What is the InChIKey of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is YDVSXVKMWDCYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-3-4-11(16-2)10(7-9)13-12(5-6-14)17-8-15-13/h3-4,7-8H,5-6,14H2,1-2H3.
What are the key properties of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 28709823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).