5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine

C20H20N6S — CID 88979789

IUPAC5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine
SMILESCN1CCN(c2cnc3ccc(-c4ccc5sc(N)nc5c4)cc3n2)CC1
InChIInChI=1S/C20H20N6S/c1-25-6-8-26(9-7-25)19-12-22-15-4-2-13(10-16(15)23-19)14-3-5-18-17(11-14)24-20(21)27-18/h2-5,10-12H,6-9H2,1H3,(H2,21,24)
InChIKeySRAJJTWYSOYUKE-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.24
Rot. Bonds2

About 5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine

5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine (PubChem CID 88979789) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine
PubChem CID88979789
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine
SMILESCN1CCN(c2cnc3ccc(-c4ccc5sc(N)nc5c4)cc3n2)CC1
InChIInChI=1S/C20H20N6S/c1-25-6-8-26(9-7-25)19-12-22-15-4-2-13(10-16(15)23-19)14-3-5-18-17(11-14)24-20(21)27-18/h2-5,10-12H,6-9H2,1H3,(H2,21,24)
InChIKeySRAJJTWYSOYUKE-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 5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine (CID 88979789) is 5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine is CN1CCN(c2cnc3ccc(-c4ccc5sc(N)nc5c4)cc3n2)CC1.
What is the InChIKey of 5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine?
The InChIKey is SRAJJTWYSOYUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-25-6-8-26(9-7-25)19-12-22-15-4-2-13(10-16(15)23-19)14-3-5-18-17(11-14)24-20(21)27-18/h2-5,10-12H,6-9H2,1H3,(H2,21,24).
What are the key properties of 5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine?
5-[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 5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 88979789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).