ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate

C13H14N2O2S — CID 83777894

IUPACethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(C)c2)sc1N
InChIInChI=1S/C13H14N2O2S/c1-3-17-13(16)10-11(14)18-12(15-10)9-6-4-5-8(2)7-9/h4-7H,3,14H2,1-2H3
InChIKeyYCCILWXPZZHKFG-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.88
Rot. Bonds3

About ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 83777894) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID83777894
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Nameethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(C)c2)sc1N
InChIInChI=1S/C13H14N2O2S/c1-3-17-13(16)10-11(14)18-12(15-10)9-6-4-5-8(2)7-9/h4-7H,3,14H2,1-2H3
InChIKeyYCCILWXPZZHKFG-UHFFFAOYSA-N
XLogP2.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate 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 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 145143240
ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 166903913
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 2-bromo-4-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 131867355
ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 116526130
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
methyl 5-amino-2-(3-fluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199640
ethyl 2-(3-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526219
ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate
CID 104840726
ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate
CID 122508677

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate (CID 83777894) is ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2cccc(C)c2)sc1N.
What is the InChIKey of ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is YCCILWXPZZHKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-17-13(16)10-11(14)18-12(15-10)9-6-4-5-8(2)7-9/h4-7H,3,14H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 83777894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).