2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine

C15H20N2OS — CID 51110701

IUPAC2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1cc(C)cc(OCCN(C)Cc2cscn2)c1
InChIInChI=1S/C15H20N2OS/c1-12-6-13(2)8-15(7-12)18-5-4-17(3)9-14-10-19-11-16-14/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyKQRLIYBUXVBOCS-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.27
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine

2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 51110701) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID51110701
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1cc(C)cc(OCCN(C)Cc2cscn2)c1
InChIInChI=1S/C15H20N2OS/c1-12-6-13(2)8-15(7-12)18-5-4-17(3)9-14-10-19-11-16-14/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyKQRLIYBUXVBOCS-UHFFFAOYSA-N
XLogP3.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole
CID 10708509
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)acetamide
CID 24714429
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009264
N-methyl-2-phenoxy-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 45868367
N-methyl-N-{3-[(2-methylprop-2-en-1-yl)oxy]benzyl}-1-(1,3-thiazol-2-yl)ethanamine
CID 46982420
N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 47014924
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
3-[3-[Methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propoxy]benzonitrile
CID 71968720
4-[[4-(4-Methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 71985485
7-methoxy-3-(1,3-thiazol-4-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 72918536
[2-[(3,5-Dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 46003164
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 46008202

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 51110701) is 2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine is Cc1cc(C)cc(OCCN(C)Cc2cscn2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is KQRLIYBUXVBOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12-6-13(2)8-15(7-12)18-5-4-17(3)9-14-10-19-11-16-14/h6-8,10-11H,4-5,9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 51110701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).