2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate

C19H16FN2O4S- — CID 7460137

IUPAC2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate
SMILESCOc1ccc(OC)c(-c2nc(Nc3ccccc3F)sc2CC(=O)[O-])c1
InChIInChI=1S/C19H17FN2O4S/c1-25-11-7-8-15(26-2)12(9-11)18-16(10-17(23)24)27-19(22-18)21-14-6-4-3-5-13(14)20/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)/p-1
InChIKeyOXOBCJRBKXIDPF-UHFFFAOYSA-M
MW387.41 g/mol
LogP3.00
Rot. Bonds7

About 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate

2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate (PubChem CID 7460137) has the molecular formula C19H16FN2O4S- and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate
PubChem CID7460137
Molecular FormulaC19H16FN2O4S-
Molecular Weight387.41 g/mol
Exact Mass387.08
IUPAC Name2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate
SMILESCOc1ccc(OC)c(-c2nc(Nc3ccccc3F)sc2CC(=O)[O-])c1
InChIInChI=1S/C19H17FN2O4S/c1-25-11-7-8-15(26-2)12(9-11)18-16(10-17(23)24)27-19(22-18)21-14-6-4-3-5-13(14)20/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)/p-1
InChIKeyOXOBCJRBKXIDPF-UHFFFAOYSA-M
XLogP3.00
TPSA83.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]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

2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate
CID 7460125
2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate
CID 7318710
2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 3145375
2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid
CID 23770800
5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 72707053
2-[2-(2-fluoroanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342304
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
6-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100738
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
2-[2-(2-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethyl nitrate
CID 18440849
2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 3223875
methyl 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423247

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate?
The IUPAC name of 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate (CID 7460137) is 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate is COc1ccc(OC)c(-c2nc(Nc3ccccc3F)sc2CC(=O)[O-])c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate?
The InChIKey is OXOBCJRBKXIDPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17FN2O4S/c1-25-11-7-8-15(26-2)12(9-11)18-16(10-17(23)24)27-19(22-18)21-14-6-4-3-5-13(14)20/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)/p-1.
What are the key properties of 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate?
2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate has a molecular weight of 387.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 7460137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).