3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile

C18H11ClN6S — CID 137430292

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile
SMILESCc1cnc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C18H11ClN6S/c1-9-8-23-18(26-9)16-15(24-13(7-20)17(21)25-16)11-5-10-3-2-4-22-14(10)12(19)6-11/h2-6,8H,1H3,(H2,21,25)
InChIKeyCJMXOWFUCSRREB-UHFFFAOYSA-N
MW378.85 g/mol
LogP4.23
Rot. Bonds2

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile

3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile (PubChem CID 137430292) has the molecular formula C18H11ClN6S and a molecular weight of 378.85 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile
PubChem CID137430292
Molecular FormulaC18H11ClN6S
Molecular Weight378.85 g/mol
Exact Mass378.05
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile
SMILESCc1cnc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C18H11ClN6S/c1-9-8-23-18(26-9)16-15(24-13(7-20)17(21)25-16)11-5-10-3-2-4-22-14(10)12(19)6-11/h2-6,8H,1H3,(H2,21,25)
InChIKeyCJMXOWFUCSRREB-UHFFFAOYSA-N
XLogP4.23
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile (CID 137430292) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile is Cc1cnc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)s1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile?
The InChIKey is CJMXOWFUCSRREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN6S/c1-9-8-23-18(26-9)16-15(24-13(7-20)17(21)25-16)11-5-10-3-2-4-22-14(10)12(19)6-11/h2-6,8H,1H3,(H2,21,25).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile?
3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile has a molecular weight of 378.85 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).