2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine

C14H19N3O2S — CID 50960843

IUPAC2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCOc1ccc(OCCN(C)Cc2snnc2C)cc1
InChIInChI=1S/C14H19N3O2S/c1-11-14(20-16-15-11)10-17(2)8-9-19-13-6-4-12(18-3)5-7-13/h4-7H,8-10H2,1-3H3
InChIKeyPUXKNUPJOGJHAO-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.37
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine

2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 50960843) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
PubChem CID50960843
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCOc1ccc(OCCN(C)Cc2snnc2C)cc1
InChIInChI=1S/C14H19N3O2S/c1-11-14(20-16-15-11)10-17(2)8-9-19-13-6-4-12(18-3)5-7-13/h4-7H,8-10H2,1-3H3
InChIKeyPUXKNUPJOGJHAO-UHFFFAOYSA-N
XLogP2.37
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methylphenoxy)ethanamine
CID 34722034
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381
2-bromo-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 80666794
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
6-[[methyl-[2-(4-methylphenoxy)ethyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 26429610
[3-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethoxy]phenyl]boronic acid
CID 63838814
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
CID 110455054
N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 55434480
N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide
CID 51281628
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine (CID 50960843) is 2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine is COc1ccc(OCCN(C)Cc2snnc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is PUXKNUPJOGJHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11-14(20-16-15-11)10-17(2)8-9-19-13-6-4-12(18-3)5-7-13/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 293.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 50960843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).