6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine

C11H6Cl2N4S — CID 10891810

IUPAC6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine
SMILESNc1nc2cc(Cl)c(Cl)cc2nc1-c1nccs1
InChIInChI=1S/C11H6Cl2N4S/c12-5-3-7-8(4-6(5)13)17-10(14)9(16-7)11-15-1-2-18-11/h1-4H,(H2,14,17)
InChIKeyHGBGLAJAGHRZCB-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.64
Rot. Bonds1

About 6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine

6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine (PubChem CID 10891810) has the molecular formula C11H6Cl2N4S and a molecular weight of 297.17 g/mol. Its IUPAC name is 6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine
PubChem CID10891810
Molecular FormulaC11H6Cl2N4S
Molecular Weight297.17 g/mol
Exact Mass295.97
IUPAC Name6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine
SMILESNc1nc2cc(Cl)c(Cl)cc2nc1-c1nccs1
InChIInChI=1S/C11H6Cl2N4S/c12-5-3-7-8(4-6(5)13)17-10(14)9(16-7)11-15-1-2-18-11/h1-4H,(H2,14,17)
InChIKeyHGBGLAJAGHRZCB-UHFFFAOYSA-N
XLogP3.64
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine (CID 10891810) is 6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine is Nc1nc2cc(Cl)c(Cl)cc2nc1-c1nccs1.
What is the InChIKey of 6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine?
The InChIKey is HGBGLAJAGHRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4S/c12-5-3-7-8(4-6(5)13)17-10(14)9(16-7)11-15-1-2-18-11/h1-4H,(H2,14,17).
What are the key properties of 6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine?
6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine has a molecular weight of 297.17 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine is sourced from PubChem (CID 10891810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).