N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

C16H22N2O2S — CID 61059007

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCOc1ccc(OC)c(CNC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C16H22N2O2S/c1-10(16-11(2)18-12(3)21-16)17-9-13-8-14(19-4)6-7-15(13)20-5/h6-8,10,17H,9H2,1-5H3
InChIKeyVWTNWDRAADDBEQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.63
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 61059007) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID61059007
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCOc1ccc(OC)c(CNC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C16H22N2O2S/c1-10(16-11(2)18-12(3)21-16)17-9-13-8-14(19-4)6-7-15(13)20-5/h6-8,10,17H,9H2,1-5H3
InChIKeyVWTNWDRAADDBEQ-UHFFFAOYSA-N
XLogP3.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol
CID 61061276
N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222018
N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 61059460
2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol
CID 61193431
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55149649
N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623243
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 94600233
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61060969
1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43080290

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 61059007) is N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is COc1ccc(OC)c(CNC(C)c2sc(C)nc2C)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is VWTNWDRAADDBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10(16-11(2)18-12(3)21-16)17-9-13-8-14(19-4)6-7-15(13)20-5/h6-8,10,17H,9H2,1-5H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 61059007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).