methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate

C21H22ClN3O3S — CID 27377146

IUPACmethyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1
InChIInChI=1S/C21H22ClN3O3S/c1-28-20(27)15-8-10-24(11-9-15)19(26)7-6-17-13-29-21-23-18(12-25(17)21)14-2-4-16(22)5-3-14/h2-5,12-13,15H,6-11H2,1H3
InChIKeyPHUXULFCEVYMGB-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.06
Rot. Bonds5

About methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate

methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate (PubChem CID 27377146) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate
PubChem CID27377146
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Namemethyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1
InChIInChI=1S/C21H22ClN3O3S/c1-28-20(27)15-8-10-24(11-9-15)19(26)7-6-17-13-29-21-23-18(12-25(17)21)14-2-4-16(22)5-3-14/h2-5,12-13,15H,6-11H2,1H3
InChIKeyPHUXULFCEVYMGB-UHFFFAOYSA-N
XLogP4.06
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate (CID 27377146) is methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1.
What is the InChIKey of methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate?
The InChIKey is PHUXULFCEVYMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-28-20(27)15-8-10-24(11-9-15)19(26)7-6-17-13-29-21-23-18(12-25(17)21)14-2-4-16(22)5-3-14/h2-5,12-13,15H,6-11H2,1H3.
What are the key properties of methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate?
methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate has a molecular weight of 431.95 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 27377146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).