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

C17H12ClN5S — CID 137423841

IUPAC5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
SMILESCc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C17H12ClN5S/c1-9-21-7-13(24-9)17-16(22-8-14(19)23-17)11-5-10-3-2-4-20-15(10)12(18)6-11/h2-8H,1H3,(H2,19,23)
InChIKeyPUUYCHNVQQVFJG-UHFFFAOYSA-N
MW353.84 g/mol
LogP4.36
Rot. Bonds2

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

5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine (PubChem CID 137423841) has the molecular formula C17H12ClN5S and a molecular weight of 353.84 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
PubChem CID137423841
Molecular FormulaC17H12ClN5S
Molecular Weight353.84 g/mol
Exact Mass353.05
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
SMILESCc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C17H12ClN5S/c1-9-21-7-13(24-9)17-16(22-8-14(19)23-17)11-5-10-3-2-4-20-15(10)12(18)6-11/h2-8H,1H3,(H2,19,23)
InChIKeyPUUYCHNVQQVFJG-UHFFFAOYSA-N
XLogP4.36
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine (CID 137423841) is 5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine is Cc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)s1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The InChIKey is PUUYCHNVQQVFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5S/c1-9-21-7-13(24-9)17-16(22-8-14(19)23-17)11-5-10-3-2-4-20-15(10)12(18)6-11/h2-8H,1H3,(H2,19,23).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine has a molecular weight of 353.84 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 137423841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).