3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one

C15H19N3O2S — CID 5309485

IUPAC3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
SMILESCCN1CCN(C(=O)Cn2c(=O)sc3ccccc32)CC1
InChIInChI=1S/C15H19N3O2S/c1-2-16-7-9-17(10-8-16)14(19)11-18-12-5-3-4-6-13(12)21-15(18)20/h3-6H,2,7-11H2,1H3
InChIKeyYKPRCYLNXZLXLW-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.23
Rot. Bonds3

About 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one

3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one (PubChem CID 5309485) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
PubChem CID5309485
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
SMILESCCN1CCN(C(=O)Cn2c(=O)sc3ccccc32)CC1
InChIInChI=1S/C15H19N3O2S/c1-2-16-7-9-17(10-8-16)14(19)11-18-12-5-3-4-6-13(12)21-15(18)20/h3-6H,2,7-11H2,1H3
InChIKeyYKPRCYLNXZLXLW-UHFFFAOYSA-N
XLogP1.23
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
The IUPAC name of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one (CID 5309485) is 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one is CCN1CCN(C(=O)Cn2c(=O)sc3ccccc32)CC1.
What is the InChIKey of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
The InChIKey is YKPRCYLNXZLXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-16-7-9-17(10-8-16)14(19)11-18-12-5-3-4-6-13(12)21-15(18)20/h3-6H,2,7-11H2,1H3.
What are the key properties of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one has a molecular weight of 305.40 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 5309485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).