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

C17H24N2OS — CID 60924424

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
SMILESCCOCc1ccccc1CNC(C)c1nc(C)sc1C
InChIInChI=1S/C17H24N2OS/c1-5-20-11-16-9-7-6-8-15(16)10-18-12(2)17-13(3)21-14(4)19-17/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyZFJHGWHJTUPXTA-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.15
Rot. Bonds7

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

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine (PubChem CID 60924424) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
PubChem CID60924424
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
SMILESCCOCc1ccccc1CNC(C)c1nc(C)sc1C
InChIInChI=1S/C17H24N2OS/c1-5-20-11-16-9-7-6-8-15(16)10-18-12(2)17-13(3)21-14(4)19-17/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyZFJHGWHJTUPXTA-UHFFFAOYSA-N
XLogP4.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878966
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 166263473
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 54902365
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 103114569
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43109519
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine
CID 43204647
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine
CID 79547946
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64915379
N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline
CID 54862115

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine (CID 60924424) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine is CCOCc1ccccc1CNC(C)c1nc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is ZFJHGWHJTUPXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-20-11-16-9-7-6-8-15(16)10-18-12(2)17-13(3)21-14(4)19-17/h6-9,12,18H,5,10-11H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 60924424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).