ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate

C20H20N2O3S — CID 3074896

IUPACethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H20N2O3S/c1-3-24-19(23)12-25-17-10-6-15(7-11-17)18-13-26-20(22-18)21-16-8-4-14(2)5-9-16/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKeyOFHHUWUBFXVGCK-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.80
Rot. Bonds7

About ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate

ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate (PubChem CID 3074896) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
PubChem CID3074896
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Nameethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H20N2O3S/c1-3-24-19(23)12-25-17-10-6-15(7-11-17)18-13-26-20(22-18)21-16-8-4-14(2)5-9-16/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKeyOFHHUWUBFXVGCK-UHFFFAOYSA-N
XLogP4.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[4-[(E)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 46916210
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729
ethyl 3-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]-2,2-dimethylpropanoate
CID 59117283
N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 8874317
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7224449
N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 2058270
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate (CID 3074896) is ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate is CCOC(=O)COc1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
The InChIKey is OFHHUWUBFXVGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-24-19(23)12-25-17-10-6-15(7-11-17)18-13-26-20(22-18)21-16-8-4-14(2)5-9-16/h4-11,13H,3,12H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate has a molecular weight of 368.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate is sourced from PubChem (CID 3074896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).