ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate

C15H20N4O3S — CID 31843825

IUPACethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C15H20N4O3S/c1-2-22-15(21)18-5-3-11(4-6-18)16-13(20)9-12-10-19-7-8-23-14(19)17-12/h7-8,10-11H,2-6,9H2,1H3,(H,16,20)
InChIKeyPZWWOJYJILIIKD-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.68
Rot. Bonds4

About ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate (PubChem CID 31843825) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate
PubChem CID31843825
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Nameethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C15H20N4O3S/c1-2-22-15(21)18-5-3-11(4-6-18)16-13(20)9-12-10-19-7-8-23-14(19)17-12/h7-8,10-11H,2-6,9H2,1H3,(H,16,20)
InChIKeyPZWWOJYJILIIKD-UHFFFAOYSA-N
XLogP1.68
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate (CID 31843825) is ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cc2cn3ccsc3n2)CC1.
What is the InChIKey of ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate?
The InChIKey is PZWWOJYJILIIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-2-22-15(21)18-5-3-11(4-6-18)16-13(20)9-12-10-19-7-8-23-14(19)17-12/h7-8,10-11H,2-6,9H2,1H3,(H,16,20).
What are the key properties of ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate has a molecular weight of 336.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 31843825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).