1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C16H22N2O2S — CID 105159055

IUPAC1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(Cc1csc(C)n1)c1cccc(OC)c1OC
InChIInChI=1S/C16H22N2O2S/c1-5-17-14(9-12-10-21-11(2)18-12)13-7-6-8-15(19-3)16(13)20-4/h6-8,10,14,17H,5,9H2,1-4H3
InChIKeySXOSPKZEKVRFLZ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.36
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 105159055) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID105159055
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(Cc1csc(C)n1)c1cccc(OC)c1OC
InChIInChI=1S/C16H22N2O2S/c1-5-17-14(9-12-10-21-11(2)18-12)13-7-6-8-15(19-3)16(13)20-4/h6-8,10,14,17H,5,9H2,1-4H3
InChIKeySXOSPKZEKVRFLZ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine
CID 105139259
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997202
1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62798639
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114650023
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
1-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777151
1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62799340
1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105163057
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
CID 62799174

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 105159055) is 1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCNC(Cc1csc(C)n1)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is SXOSPKZEKVRFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-5-17-14(9-12-10-21-11(2)18-12)13-7-6-8-15(19-3)16(13)20-4/h6-8,10,14,17H,5,9H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 105159055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).