ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate

C16H15N3O3S — CID 170609686

IUPACethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3ccc(NC(C)=O)cc3)cn12
InChIInChI=1S/C16H15N3O3S/c1-3-22-15(21)14-9-23-16-18-13(8-19(14)16)11-4-6-12(7-5-11)17-10(2)20/h4-9H,3H2,1-2H3,(H,17,20)
InChIKeyPTHXJADOYKERJT-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.20
Rot. Bonds4

About ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate

ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (PubChem CID 170609686) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
PubChem CID170609686
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Nameethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3ccc(NC(C)=O)cc3)cn12
InChIInChI=1S/C16H15N3O3S/c1-3-22-15(21)14-9-23-16-18-13(8-19(14)16)11-4-6-12(7-5-11)17-10(2)20/h4-9H,3H2,1-2H3,(H,17,20)
InChIKeyPTHXJADOYKERJT-UHFFFAOYSA-N
XLogP3.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[4-[(2-chloroacetyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192449
ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
CID 42271723
ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192457
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374
ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757030
ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757014
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703
N-(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271771
ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
CID 42271107
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685
N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271784

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The IUPAC name of ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CID 170609686) is ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The canonical SMILES for ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate is CCOC(=O)c1csc2nc(-c3ccc(NC(C)=O)cc3)cn12.
What is the InChIKey of ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The InChIKey is PTHXJADOYKERJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-22-15(21)14-9-23-16-18-13(8-19(14)16)11-4-6-12(7-5-11)17-10(2)20/h4-9H,3H2,1-2H3,(H,17,20).
What are the key properties of ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 170609686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).