6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine

C15H22N4S — CID 82105164

IUPAC6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCCN1CCN(C(C)c2ccc3nc(N)sc3c2)CC1
InChIInChI=1S/C15H22N4S/c1-3-18-6-8-19(9-7-18)11(2)12-4-5-13-14(10-12)20-15(16)17-13/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17)
InChIKeyFZAUQTGWEQNOBM-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.58
Rot. Bonds3

About 6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine

6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 82105164) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID82105164
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCCN1CCN(C(C)c2ccc3nc(N)sc3c2)CC1
InChIInChI=1S/C15H22N4S/c1-3-18-6-8-19(9-7-18)11(2)12-4-5-13-14(10-12)20-15(16)17-13/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17)
InChIKeyFZAUQTGWEQNOBM-UHFFFAOYSA-N
XLogP2.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine (CID 82105164) is 6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine is CCN1CCN(C(C)c2ccc3nc(N)sc3c2)CC1.
What is the InChIKey of 6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is FZAUQTGWEQNOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-18-6-8-19(9-7-18)11(2)12-4-5-13-14(10-12)20-15(16)17-13/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17).
What are the key properties of 6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine?
6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 290.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82105164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).