2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine

C15H20N2OS — CID 55016555

IUPAC2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
SMILESCc1ccc(C(CN)OCCc2scnc2C)cc1
InChIInChI=1S/C15H20N2OS/c1-11-3-5-13(6-4-11)14(9-16)18-8-7-15-12(2)17-10-19-15/h3-6,10,14H,7-9,16H2,1-2H3
InChIKeyQDDGKPQHFDXASS-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.02
Rot. Bonds6

About 2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine

2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine (PubChem CID 55016555) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
PubChem CID55016555
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
SMILESCc1ccc(C(CN)OCCc2scnc2C)cc1
InChIInChI=1S/C15H20N2OS/c1-11-3-5-13(6-4-11)14(9-16)18-8-7-15-12(2)17-10-19-15/h3-6,10,14H,7-9,16H2,1-2H3
InChIKeyQDDGKPQHFDXASS-UHFFFAOYSA-N
XLogP3.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
CID 55019516
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62029445
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 176572970
(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 63370489
N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79436580
1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62072174
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine?
The IUPAC name of 2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine (CID 55016555) is 2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine?
The canonical SMILES for 2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine is Cc1ccc(C(CN)OCCc2scnc2C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine?
The InChIKey is QDDGKPQHFDXASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-3-5-13(6-4-11)14(9-16)18-8-7-15-12(2)17-10-19-15/h3-6,10,14H,7-9,16H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine?
2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine is sourced from PubChem (CID 55016555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).