6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine

C20H20N6S — CID 88979880

IUPAC6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine
SMILESCN1CCN(c2cnc3ccc(-c4ccc5nc(N)sc5c4)cc3n2)CC1
InChIInChI=1S/C20H20N6S/c1-25-6-8-26(9-7-25)19-12-22-15-4-2-13(10-17(15)23-19)14-3-5-16-18(11-14)27-20(21)24-16/h2-5,10-12H,6-9H2,1H3,(H2,21,24)
InChIKeyOJNAXEJGSMURLF-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.24
Rot. Bonds2

About 6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine

6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine (PubChem CID 88979880) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine
PubChem CID88979880
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine
SMILESCN1CCN(c2cnc3ccc(-c4ccc5nc(N)sc5c4)cc3n2)CC1
InChIInChI=1S/C20H20N6S/c1-25-6-8-26(9-7-25)19-12-22-15-4-2-13(10-17(15)23-19)14-3-5-16-18(11-14)27-20(21)24-16/h2-5,10-12H,6-9H2,1H3,(H2,21,24)
InChIKeyOJNAXEJGSMURLF-UHFFFAOYSA-N
XLogP3.24
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine (CID 88979880) is 6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine is CN1CCN(c2cnc3ccc(-c4ccc5nc(N)sc5c4)cc3n2)CC1.
What is the InChIKey of 6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine?
The InChIKey is OJNAXEJGSMURLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-25-6-8-26(9-7-25)19-12-22-15-4-2-13(10-17(15)23-19)14-3-5-16-18(11-14)27-20(21)24-16/h2-5,10-12H,6-9H2,1H3,(H2,21,24).
What are the key properties of 6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine?
6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine has a molecular weight of 376.49 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 88979880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).