ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate

C12H18N4O3S — CID 6498214

IUPACethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H18N4O3S/c1-2-19-12(18)16-6-4-15(5-7-16)9-10(17)14-11-13-3-8-20-11/h3,8H,2,4-7,9H2,1H3,(H,13,14,17)
InChIKeyGUCKNBHMIPAVSK-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.86
Rot. Bonds4

About ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate

ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate (PubChem CID 6498214) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate
PubChem CID6498214
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Nameethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H18N4O3S/c1-2-19-12(18)16-6-4-15(5-7-16)9-10(17)14-11-13-3-8-20-11/h3,8H,2,4-7,9H2,1H3,(H,13,14,17)
InChIKeyGUCKNBHMIPAVSK-UHFFFAOYSA-N
XLogP0.86
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate (CID 6498214) is ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)Nc2nccs2)CC1.
What is the InChIKey of ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is GUCKNBHMIPAVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-2-19-12(18)16-6-4-15(5-7-16)9-10(17)14-11-13-3-8-20-11/h3,8H,2,4-7,9H2,1H3,(H,13,14,17).
What are the key properties of ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate?
ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 298.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 6498214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).