methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate

C13H14N2O2S — CID 2741217

IUPACmethyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)Cc1nc(Nc2ccccc2)sc1C
InChIInChI=1S/C13H14N2O2S/c1-9-11(8-12(16)17-2)15-13(18-9)14-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyHAIOHCJEVXNRSA-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.91
Rot. Bonds4

About methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate

methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 2741217) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate
PubChem CID2741217
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namemethyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)Cc1nc(Nc2ccccc2)sc1C
InChIInChI=1S/C13H14N2O2S/c1-9-11(8-12(16)17-2)15-13(18-9)14-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyHAIOHCJEVXNRSA-UHFFFAOYSA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-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-Phenylamino-4-methyl-5-acetylthiazole
CID 735838
4-Thiazoleacetic acid, 2-[[[(4-fluorophenyl)amino]carbonyl]amino]-, ethyl ester
CID 2813998
Ethyl 2-((4-fluorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 935079
Ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
CID 971435
Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 728643
Ethyl 2-{2-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 972118
[2-(4-Butyl-phenylamino)-thiazol-4-yl]-acetic acid
CID 3611794
2-[(4-Isopropylphenylamino)thiazol-4-yl]acetic acid
CID 7066096
Ethyl (2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2816687
Methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 2418839

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate (CID 2741217) is methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate is COC(=O)Cc1nc(Nc2ccccc2)sc1C.
What is the InChIKey of methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is HAIOHCJEVXNRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-11(8-12(16)17-2)15-13(18-9)14-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate?
methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 262.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 2741217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).