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

C19H15N3O3S2 — CID 42271107

IUPACethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2csc3nc(-c4cccs4)cn23)cc1
InChIInChI=1S/C19H15N3O3S2/c1-2-25-18(24)12-5-7-13(8-6-12)20-17(23)15-11-27-19-21-14(10-22(15)19)16-4-3-9-26-16/h3-11H,2H2,1H3,(H,20,23)
InChIKeyDGIHHJSVYUKEPK-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.55
Rot. Bonds5

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

ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate (PubChem CID 42271107) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
PubChem CID42271107
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC Nameethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2csc3nc(-c4cccs4)cn23)cc1
InChIInChI=1S/C19H15N3O3S2/c1-2-25-18(24)12-5-7-13(8-6-12)20-17(23)15-11-27-19-21-14(10-22(15)19)16-4-3-9-26-16/h3-11H,2H2,1H3,(H,20,23)
InChIKeyDGIHHJSVYUKEPK-UHFFFAOYSA-N
XLogP4.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(6-thiophen-2-ylimidazo[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-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
CID 42271723
N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270174
N-(2,6-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271121
ethyl 4-(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperazine-1-carboxylate
CID 42271077
N-(3-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271126
ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 170609686
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271129
N-(2-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271089
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate
CID 46388667
N-(4-carbamoylphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271610
ethyl 6-[4-[(2-chloroacetyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192449

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate (CID 42271107) is ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2csc3nc(-c4cccs4)cn23)cc1.
What is the InChIKey of ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate?
The InChIKey is DGIHHJSVYUKEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S2/c1-2-25-18(24)12-5-7-13(8-6-12)20-17(23)15-11-27-19-21-14(10-22(15)19)16-4-3-9-26-16/h3-11H,2H2,1H3,(H,20,23).
What are the key properties of ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate?
ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate has a molecular weight of 397.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 42271107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).