ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate

C14H23N3O2S — CID 107380194

IUPACethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C(CC)N2CCNCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-3-12(17-7-5-15-6-8-17)14-16-11(10-20-14)9-13(18)19-4-2/h10,12,15H,3-9H2,1-2H3
InChIKeyUOUBEQYSNBKKTB-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.61
Rot. Bonds6

About ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate (PubChem CID 107380194) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate
PubChem CID107380194
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C(CC)N2CCNCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-3-12(17-7-5-15-6-8-17)14-16-11(10-20-14)9-13(18)19-4-2/h10,12,15H,3-9H2,1-2H3
InChIKeyUOUBEQYSNBKKTB-UHFFFAOYSA-N
XLogP1.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 82511924
2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
CID 55203528
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
ethyl 4-[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450870
4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
CID 63342212
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574132
1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-1,4-diazepan-5-one
CID 63004510
ethyl 2-[2-(piperidine-4-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262721
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 2-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574460

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate (CID 107380194) is ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(C(CC)N2CCNCC2)n1.
What is the InChIKey of ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is UOUBEQYSNBKKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-12(17-7-5-15-6-8-17)14-16-11(10-20-14)9-13(18)19-4-2/h10,12,15H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 297.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 107380194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).