5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole

C11H19N3O2S2 — CID 118088288

IUPAC5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole
SMILESCCS(=O)(=O)CCc1cnc(N2CCNCC2)s1
InChIInChI=1S/C11H19N3O2S2/c1-2-18(15,16)8-3-10-9-13-11(17-10)14-6-4-12-5-7-14/h9,12H,2-8H2,1H3
InChIKeyFXZNRTVRJSEAPS-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.53
Rot. Bonds5

About 5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole

5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole (PubChem CID 118088288) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole
PubChem CID118088288
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole
SMILESCCS(=O)(=O)CCc1cnc(N2CCNCC2)s1
InChIInChI=1S/C11H19N3O2S2/c1-2-18(15,16)8-3-10-9-13-11(17-10)14-6-4-12-5-7-14/h9,12H,2-8H2,1H3
InChIKeyFXZNRTVRJSEAPS-UHFFFAOYSA-N
XLogP0.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole (CID 118088288) is 5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole is CCS(=O)(=O)CCc1cnc(N2CCNCC2)s1.
What is the InChIKey of 5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is FXZNRTVRJSEAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-2-18(15,16)8-3-10-9-13-11(17-10)14-6-4-12-5-7-14/h9,12H,2-8H2,1H3.
What are the key properties of 5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole?
5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 289.43 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 118088288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).