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

C18H14ClN5S — CID 137430237

IUPAC5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
SMILESCc1ncc(-c2nc(N)c(C)nc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C18H14ClN5S/c1-9-18(20)24-17(14-8-22-10(2)25-14)16(23-9)12-6-11-4-3-5-21-15(11)13(19)7-12/h3-8H,1-2H3,(H2,20,24)
InChIKeyFSIVXNGFEFYFIP-UHFFFAOYSA-N
MW367.87 g/mol
LogP4.67
Rot. Bonds2

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

5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine (PubChem CID 137430237) has the molecular formula C18H14ClN5S and a molecular weight of 367.87 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
PubChem CID137430237
Molecular FormulaC18H14ClN5S
Molecular Weight367.87 g/mol
Exact Mass367.07
IUPAC Name5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
SMILESCc1ncc(-c2nc(N)c(C)nc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C18H14ClN5S/c1-9-18(20)24-17(14-8-22-10(2)25-14)16(23-9)12-6-11-4-3-5-21-15(11)13(19)7-12/h3-8H,1-2H3,(H2,20,24)
InChIKeyFSIVXNGFEFYFIP-UHFFFAOYSA-N
XLogP4.67
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 54.67
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)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine (CID 137430237) is 5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine is Cc1ncc(-c2nc(N)c(C)nc2-c2cc(Cl)c3ncccc3c2)s1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The InChIKey is FSIVXNGFEFYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5S/c1-9-18(20)24-17(14-8-22-10(2)25-14)16(23-9)12-6-11-4-3-5-21-15(11)13(19)7-12/h3-8H,1-2H3,(H2,20,24).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine has a molecular weight of 367.87 g/mol, XLogP of 4.67, 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)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 137430237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).