[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate

C19H17FN2O3S — CID 7842163

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate
SMILESCc1ccc(Nc2nc(COC(=O)COc3ccccc3F)cs2)cc1
InChIInChI=1S/C19H17FN2O3S/c1-13-6-8-14(9-7-13)21-19-22-15(12-26-19)10-25-18(23)11-24-17-5-3-2-4-16(17)20/h2-9,12H,10-11H2,1H3,(H,21,22)
InChIKeyOLFGMXHQNDKNRC-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.46
Rot. Bonds7

About [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate (PubChem CID 7842163) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate
PubChem CID7842163
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate
SMILESCc1ccc(Nc2nc(COC(=O)COc3ccccc3F)cs2)cc1
InChIInChI=1S/C19H17FN2O3S/c1-13-6-8-14(9-7-13)21-19-22-15(12-26-19)10-25-18(23)11-24-17-5-3-2-4-16(17)20/h2-9,12H,10-11H2,1H3,(H,21,22)
InChIKeyOLFGMXHQNDKNRC-UHFFFAOYSA-N
XLogP4.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate (CID 7842163) is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate is Cc1ccc(Nc2nc(COC(=O)COc3ccccc3F)cs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate?
The InChIKey is OLFGMXHQNDKNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-13-6-8-14(9-7-13)21-19-22-15(12-26-19)10-25-18(23)11-24-17-5-3-2-4-16(17)20/h2-9,12H,10-11H2,1H3,(H,21,22).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate?
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate has a molecular weight of 372.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7842163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).