ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate

C19H20N4O3S — CID 134796666

IUPACethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2nc3sccn3c2-c2ccncc2)CC1
InChIInChI=1S/C19H20N4O3S/c1-2-26-18(25)14-5-9-22(10-6-14)17(24)15-16(13-3-7-20-8-4-13)23-11-12-27-19(23)21-15/h3-4,7-8,11-12,14H,2,5-6,9-10H2,1H3
InChIKeyCBIRAWIQGJQQGZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.87
Rot. Bonds4

About ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate

ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate (PubChem CID 134796666) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate
PubChem CID134796666
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Nameethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2nc3sccn3c2-c2ccncc2)CC1
InChIInChI=1S/C19H20N4O3S/c1-2-26-18(25)14-5-9-22(10-6-14)17(24)15-16(13-3-7-20-8-4-13)23-11-12-27-19(23)21-15/h3-4,7-8,11-12,14H,2,5-6,9-10H2,1H3
InChIKeyCBIRAWIQGJQQGZ-UHFFFAOYSA-N
XLogP2.87
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate (CID 134796666) is ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2nc3sccn3c2-c2ccncc2)CC1.
What is the InChIKey of ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is CBIRAWIQGJQQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-26-18(25)14-5-9-22(10-6-14)17(24)15-16(13-3-7-20-8-4-13)23-11-12-27-19(23)21-15/h3-4,7-8,11-12,14H,2,5-6,9-10H2,1H3.
What are the key properties of ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate?
ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 134796666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).