ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

C23H23N3O2S — CID 53204793

IUPACethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(C)cc3)c(NCc3ccccc3)n2c1C
InChIInChI=1S/C23H23N3O2S/c1-4-28-22(27)20-16(3)26-21(24-14-17-8-6-5-7-9-17)19(25-23(26)29-20)18-12-10-15(2)11-13-18/h5-13,24H,4,14H2,1-3H3
InChIKeyWNMXVJNKLCYADK-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.47
Rot. Bonds6

About ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 53204793) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID53204793
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Nameethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(C)cc3)c(NCc3ccccc3)n2c1C
InChIInChI=1S/C23H23N3O2S/c1-4-28-22(27)20-16(3)26-21(24-14-17-8-6-5-7-9-17)19(25-23(26)29-20)18-12-10-15(2)11-13-18/h5-13,24H,4,14H2,1-3H3
InChIKeyWNMXVJNKLCYADK-UHFFFAOYSA-N
XLogP5.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-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 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204701
ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204751
ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204832
ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride
CID 146062430
ethyl 5-(benzylamino)-1,3-dimethylpyrazole-4-carboxylate
CID 852512
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566775
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
diethyl 5-(benzylamino)-3-methylpyrazole-1,4-dicarboxylate
CID 10664236
diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
CID 15404215
ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204843
N-benzyl-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740245
(4-ethylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
CID 53041191

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 53204793) is ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccc(C)cc3)c(NCc3ccccc3)n2c1C.
What is the InChIKey of ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is WNMXVJNKLCYADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-4-28-22(27)20-16(3)26-21(24-14-17-8-6-5-7-9-17)19(25-23(26)29-20)18-12-10-15(2)11-13-18/h5-13,24H,4,14H2,1-3H3.
What are the key properties of ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 405.52 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 53204793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).