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

C20H22N4O3S — CID 42271685

IUPACethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2csc3nc(-c4ccc(C)cc4)cn23)CC1
InChIInChI=1S/C20H22N4O3S/c1-3-27-20(26)23-10-8-22(9-11-23)18(25)17-13-28-19-21-16(12-24(17)19)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyGBBBJFHTMCZQLW-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.29
Rot. Bonds3

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

ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate (PubChem CID 42271685) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
PubChem CID42271685
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Nameethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2csc3nc(-c4ccc(C)cc4)cn23)CC1
InChIInChI=1S/C20H22N4O3S/c1-3-27-20(26)23-10-8-22(9-11-23)18(25)17-13-28-19-21-16(12-24(17)19)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyGBBBJFHTMCZQLW-UHFFFAOYSA-N
XLogP3.29
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654
ethyl 4-(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperazine-1-carboxylate
CID 42271077
(4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 29356769
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42270017
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 50839474
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 25287122
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
CID 42271723
ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 170609686
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 119073846
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-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate (CID 42271685) is ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=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]piperazine-1-carboxylate?
The InChIKey is GBBBJFHTMCZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-27-20(26)23-10-8-22(9-11-23)18(25)17-13-28-19-21-16(12-24(17)19)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 398.49 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 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]piperazine-1-carboxylate is sourced from PubChem (CID 42271685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).