1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

C16H22N2O2S — CID 82430165

IUPAC1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOc1c(OC)cccc1-c1nc(CC)c(CNC)s1
InChIInChI=1S/C16H22N2O2S/c1-5-12-14(10-17-3)21-16(18-12)11-8-7-9-13(19-4)15(11)20-6-2/h7-9,17H,5-6,10H2,1-4H3
InChIKeyBDKYOIBDDVJGLZ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.50
Rot. Bonds7

About 1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82430165) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82430165
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOc1c(OC)cccc1-c1nc(CC)c(CNC)s1
InChIInChI=1S/C16H22N2O2S/c1-5-12-14(10-17-3)21-16(18-12)11-8-7-9-13(19-4)15(11)20-6-2/h7-9,17H,5-6,10H2,1-4H3
InChIKeyBDKYOIBDDVJGLZ-UHFFFAOYSA-N
XLogP3.50
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82432707
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441264
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441266
2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20991959
1-[4-ethyl-2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106793145
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427169
1-[4-tert-butyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439166
1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841047
[2-(2-ethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanol
CID 82429992
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 104841101
1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841189

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82430165) is 1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCOc1c(OC)cccc1-c1nc(CC)c(CNC)s1.
What is the InChIKey of 1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is BDKYOIBDDVJGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-5-12-14(10-17-3)21-16(18-12)11-8-7-9-13(19-4)15(11)20-6-2/h7-9,17H,5-6,10H2,1-4H3.
What are the key properties of 1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82430165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).