ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate

C13H19N3O3S — CID 60708238

IUPACethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-19-12(18)4-3-11(17)15-6-8-16(9-7-15)13-14-5-10-20-13/h5,10H,2-4,6-9H2,1H3
InChIKeyRUTWQSZZECNYCY-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.13
Rot. Bonds5

About ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate

ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate (PubChem CID 60708238) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate
PubChem CID60708238
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-19-12(18)4-3-11(17)15-6-8-16(9-7-15)13-14-5-10-20-13/h5,10H,2-4,6-9H2,1H3
InChIKeyRUTWQSZZECNYCY-UHFFFAOYSA-N
XLogP1.13
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate (CID 60708238) is ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate is CCOC(=O)CCC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate?
The InChIKey is RUTWQSZZECNYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-19-12(18)4-3-11(17)15-6-8-16(9-7-15)13-14-5-10-20-13/h5,10H,2-4,6-9H2,1H3.
What are the key properties of ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate?
ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate has a molecular weight of 297.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate is sourced from PubChem (CID 60708238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).