methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate

C20H21N3O3S — CID 3239381

IUPACmethyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1
InChIInChI=1S/C20H21N3O3S/c1-13-17(18(24)22-10-8-15(9-11-22)19(25)26-2)27-20-21-16(12-23(13)20)14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3
InChIKeyVHHVODJMNLAUIO-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.40
Rot. Bonds3

About methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate

methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate (PubChem CID 3239381) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate
PubChem CID3239381
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Namemethyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1
InChIInChI=1S/C20H21N3O3S/c1-13-17(18(24)22-10-8-15(9-11-22)19(25)26-2)27-20-21-16(12-23(13)20)14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3
InChIKeyVHHVODJMNLAUIO-UHFFFAOYSA-N
XLogP3.40
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate (CID 3239381) is methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1.
What is the InChIKey of methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is VHHVODJMNLAUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-17(18(24)22-10-8-15(9-11-22)19(25)26-2)27-20-21-16(12-23(13)20)14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3.
What are the key properties of methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate?
methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 383.47 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 3239381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).