ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate

C22H19N3O3S — CID 42271723

IUPACethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2csc3nc(-c4ccc(C)cc4)cn23)cc1
InChIInChI=1S/C22H19N3O3S/c1-3-28-21(27)16-8-10-17(11-9-16)23-20(26)19-13-29-22-24-18(12-25(19)22)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3,(H,23,26)
InChIKeyHNWPGIMRVBKAHH-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.80
Rot. Bonds5

About ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate

ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate (PubChem CID 42271723) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
PubChem CID42271723
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Nameethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2csc3nc(-c4ccc(C)cc4)cn23)cc1
InChIInChI=1S/C22H19N3O3S/c1-3-28-21(27)16-8-10-17(11-9-16)23-20(26)19-13-29-22-24-18(12-25(19)22)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3,(H,23,26)
InChIKeyHNWPGIMRVBKAHH-UHFFFAOYSA-N
XLogP4.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate 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 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
CID 42271107
ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 170609686
N-(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271771
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703
ethyl 6-[4-[(2-chloroacetyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192449
N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271784
ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192457
N-(3,5-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271785
N-(4-carbamoylphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271610
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612
6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271756
6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 46396472

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate (CID 42271723) is ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2csc3nc(-c4ccc(C)cc4)cn23)cc1.
What is the InChIKey of ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate?
The InChIKey is HNWPGIMRVBKAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-3-28-21(27)16-8-10-17(11-9-16)23-20(26)19-13-29-22-24-18(12-25(19)22)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3,(H,23,26).
What are the key properties of ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate?
ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate has a molecular weight of 405.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate is sourced from PubChem (CID 42271723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).