2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine

C16H22N2OS — CID 115533845

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccccc1C(Cc1nc(C)c(C)s1)NC
InChIInChI=1S/C16H22N2OS/c1-5-19-15-9-7-6-8-13(15)14(17-4)10-16-18-11(2)12(3)20-16/h6-9,14,17H,5,10H2,1-4H3
InChIKeyHYSNCOYOBATYOZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.66
Rot. Bonds6

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine (PubChem CID 115533845) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
PubChem CID115533845
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccccc1C(Cc1nc(C)c(C)s1)NC
InChIInChI=1S/C16H22N2OS/c1-5-19-15-9-7-6-8-13(15)14(17-4)10-16-18-11(2)12(3)20-16/h6-9,14,17H,5,10H2,1-4H3
InChIKeyHYSNCOYOBATYOZ-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
1-(2,3-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019795
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine
CID 61335837
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533934
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 105019741
1-(2-ethoxyphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 115533904
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105326798
1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019983
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethyl]hydrazine
CID 105199172
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 103406934

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine (CID 115533845) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine is CCOc1ccccc1C(Cc1nc(C)c(C)s1)NC.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine?
The InChIKey is HYSNCOYOBATYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-19-15-9-7-6-8-13(15)14(17-4)10-16-18-11(2)12(3)20-16/h6-9,14,17H,5,10H2,1-4H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115533845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).