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

C15H16N2O2S — CID 2129418

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
SMILESCc1ccc(Nc2nc(COC(=O)C3CC3)cs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-10-2-6-12(7-3-10)16-15-17-13(9-20-15)8-19-14(18)11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,16,17)
InChIKeyJQGKEFRCYOJVPS-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.65
Rot. Bonds5

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

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate (PubChem CID 2129418) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
PubChem CID2129418
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
SMILESCc1ccc(Nc2nc(COC(=O)C3CC3)cs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-10-2-6-12(7-3-10)16-15-17-13(9-20-15)8-19-14(18)11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,16,17)
InChIKeyJQGKEFRCYOJVPS-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate 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-{2-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
Ethyl 4-(benzylamino)-3,5-thiazolecarboxylate
CID 15053550
Ethyl 4-cyclopropyl-2-(3-fluoro-4-methylanilino)-1,3-thiazole-5-carboxylate
CID 118732505
2-[2-(4-Butylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 137659302
Ethyl 2-[(2,4-dimethylphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 757687
Ethyl 2-(3,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 7955004
Ethyl 2-(phenylamino)-4-thiazolecarboxylate
CID 15053537
Ethyl 2-((3-fluoro-4-methylphenyl)amino)-4-methylthiazole-5-carboxylate
CID 25495325
Ethyl 2-((3-fluorophenyl)amino)thiazole-4-carboxylate
CID 2769678
Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 1284667
Ethyl 2-(4-methylanilino)-1,3-thiazole-4-carboxylate
CID 1284668
Ethyl 4-((3,5-bis(trifluoromethyl)phenyl)amino)-3,5-thiazolecarboxylate
CID 75176660

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate (CID 2129418) is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate is Cc1ccc(Nc2nc(COC(=O)C3CC3)cs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate?
The InChIKey is JQGKEFRCYOJVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-2-6-12(7-3-10)16-15-17-13(9-20-15)8-19-14(18)11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,16,17).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate?
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate has a molecular weight of 288.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate is sourced from PubChem (CID 2129418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).