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

C20H16ClN5S — CID 137430239

IUPAC5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
SMILESCc1ncc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C20H16ClN5S/c1-10-24-9-15(27-10)19-17(25-18(11-4-5-11)20(22)26-19)13-7-12-3-2-6-23-16(12)14(21)8-13/h2-3,6-9,11H,4-5H2,1H3,(H2,22,26)
InChIKeyDYHWSHDVNQCYOX-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.24
Rot. Bonds3

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

5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine (PubChem CID 137430239) has the molecular formula C20H16ClN5S and a molecular weight of 393.90 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
PubChem CID137430239
Molecular FormulaC20H16ClN5S
Molecular Weight393.90 g/mol
Exact Mass393.08
IUPAC Name5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
SMILESCc1ncc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C20H16ClN5S/c1-10-24-9-15(27-10)19-17(25-18(11-4-5-11)20(22)26-19)13-7-12-3-2-6-23-16(12)14(21)8-13/h2-3,6-9,11H,4-5H2,1H3,(H2,22,26)
InChIKeyDYHWSHDVNQCYOX-UHFFFAOYSA-N
XLogP5.24
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.24
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-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine (CID 137430239) is 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine is Cc1ncc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)s1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The InChIKey is DYHWSHDVNQCYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5S/c1-10-24-9-15(27-10)19-17(25-18(11-4-5-11)20(22)26-19)13-7-12-3-2-6-23-16(12)14(21)8-13/h2-3,6-9,11H,4-5H2,1H3,(H2,22,26).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine has a molecular weight of 393.90 g/mol, XLogP of 5.24, 3 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-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 137430239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).