ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate

C22H26N4O3S — CID 27377028

IUPACethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C22H26N4O3S/c1-2-29-22(28)25-12-10-17(11-13-25)23-20(27)9-8-18-15-30-21-24-19(14-26(18)21)16-6-4-3-5-7-16/h3-7,14-15,17H,2,8-13H2,1H3,(H,23,27)
InChIKeyXAEKQHXCSMOJJK-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.73
Rot. Bonds6

About ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate (PubChem CID 27377028) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate
PubChem CID27377028
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Nameethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C22H26N4O3S/c1-2-29-22(28)25-12-10-17(11-13-25)23-20(27)9-8-18-15-30-21-24-19(14-26(18)21)16-6-4-3-5-7-16/h3-7,14-15,17H,2,8-13H2,1H3,(H,23,27)
InChIKeyXAEKQHXCSMOJJK-UHFFFAOYSA-N
XLogP3.73
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate (CID 27377028) is ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)CC1.
What is the InChIKey of ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is XAEKQHXCSMOJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-2-29-22(28)25-12-10-17(11-13-25)23-20(27)9-8-18-15-30-21-24-19(14-26(18)21)16-6-4-3-5-7-16/h3-7,14-15,17H,2,8-13H2,1H3,(H,23,27).
What are the key properties of ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 426.54 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 27377028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).