3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine

C17H11BrClN5S — CID 137423750

IUPAC3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine
SMILESCc1cnc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C17H11BrClN5S/c1-8-7-22-17(25-8)14-13(23-15(18)16(20)24-14)10-5-9-3-2-4-21-12(9)11(19)6-10/h2-7H,1H3,(H2,20,24)
InChIKeyUDRQSWUOAUGTKJ-UHFFFAOYSA-N
MW432.73 g/mol
LogP5.12
Rot. Bonds2

About 3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine

3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine (PubChem CID 137423750) has the molecular formula C17H11BrClN5S and a molecular weight of 432.73 g/mol. Its IUPAC name is 3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine
PubChem CID137423750
Molecular FormulaC17H11BrClN5S
Molecular Weight432.73 g/mol
Exact Mass430.96
IUPAC Name3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine
SMILESCc1cnc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C17H11BrClN5S/c1-8-7-22-17(25-8)14-13(23-15(18)16(20)24-14)10-5-9-3-2-4-21-12(9)11(19)6-10/h2-7H,1H3,(H2,20,24)
InChIKeyUDRQSWUOAUGTKJ-UHFFFAOYSA-N
XLogP5.12
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.73
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine (CID 137423750) is 3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine is Cc1cnc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncccc3c2)s1.
What is the InChIKey of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine?
The InChIKey is UDRQSWUOAUGTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClN5S/c1-8-7-22-17(25-8)14-13(23-15(18)16(20)24-14)10-5-9-3-2-4-21-12(9)11(19)6-10/h2-7H,1H3,(H2,20,24).
What are the key properties of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine?
3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine has a molecular weight of 432.73 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 137423750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).