3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

C15H21N3OS — CID 115928826

IUPAC3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCC(Nc1cccc(OCCN(C)C)c1)c1cncs1
InChIInChI=1S/C15H21N3OS/c1-12(15-10-16-11-20-15)17-13-5-4-6-14(9-13)19-8-7-18(2)3/h4-6,9-12,17H,7-8H2,1-3H3
InChIKeyNGIVGKHDJXEHKJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.26
Rot. Bonds7

About 3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 115928826) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
PubChem CID115928826
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCC(Nc1cccc(OCCN(C)C)c1)c1cncs1
InChIInChI=1S/C15H21N3OS/c1-12(15-10-16-11-20-15)17-13-5-4-6-14(9-13)19-8-7-18(2)3/h4-6,9-12,17H,7-8H2,1-3H3
InChIKeyNGIVGKHDJXEHKJ-UHFFFAOYSA-N
XLogP3.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)ethoxy]-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43786044
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757328
N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 104652524
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115922548
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
CID 43720885
N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 115928799
3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115707940
[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea
CID 115928663
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (CID 115928826) is 3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is CC(Nc1cccc(OCCN(C)C)c1)c1cncs1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is NGIVGKHDJXEHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12(15-10-16-11-20-15)17-13-5-4-6-14(9-13)19-8-7-18(2)3/h4-6,9-12,17H,7-8H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 291.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 115928826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).