ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate

C13H19N3O3S — CID 6463507

IUPACethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2nccs2)C1
InChIInChI=1S/C13H19N3O3S/c1-2-19-12(18)10-4-3-6-16(8-10)9-11(17)15-13-14-5-7-20-13/h5,7,10H,2-4,6,8-9H2,1H3,(H,14,15,17)
InChIKeyWDASWWGRLSJXDV-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.36
Rot. Bonds5

About ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate

ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate (PubChem CID 6463507) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate
PubChem CID6463507
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2nccs2)C1
InChIInChI=1S/C13H19N3O3S/c1-2-19-12(18)10-4-3-6-16(8-10)9-11(17)15-13-14-5-7-20-13/h5,7,10H,2-4,6,8-9H2,1H3,(H,14,15,17)
InChIKeyWDASWWGRLSJXDV-UHFFFAOYSA-N
XLogP1.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate (CID 6463507) is ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)Nc2nccs2)C1.
What is the InChIKey of ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate?
The InChIKey is WDASWWGRLSJXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-19-12(18)10-4-3-6-16(8-10)9-11(17)15-13-14-5-7-20-13/h5,7,10H,2-4,6,8-9H2,1H3,(H,14,15,17).
What are the key properties of ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate?
ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 6463507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).