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

C15H20N2OS — CID 93189901

IUPAC2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1cc(C)c(-c2nc(C)sc2CCN)cc1C
InChIInChI=1S/C15H20N2OS/c1-9-8-13(18-4)10(2)7-12(9)15-14(5-6-16)19-11(3)17-15/h7-8H,5-6,16H2,1-4H3
InChIKeyZNVYQYSLCSIDOB-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.25
Rot. Bonds4

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

2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 93189901) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID93189901
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1cc(C)c(-c2nc(C)sc2CCN)cc1C
InChIInChI=1S/C15H20N2OS/c1-9-8-13(18-4)10(2)7-12(9)15-14(5-6-16)19-11(3)17-15/h7-8H,5-6,16H2,1-4H3
InChIKeyZNVYQYSLCSIDOB-UHFFFAOYSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
5-(2-aminoethyl)-4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 39363228
5-(2-chloroethyl)-4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazole
CID 28710063
2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82479088
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82128869
2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine
CID 82475382
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine (CID 93189901) is 2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine is COc1cc(C)c(-c2nc(C)sc2CCN)cc1C.
What is the InChIKey of 2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZNVYQYSLCSIDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-8-13(18-4)10(2)7-12(9)15-14(5-6-16)19-11(3)17-15/h7-8H,5-6,16H2,1-4H3.
What are the key properties of 2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 93189901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).