5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine

C16H11N5S — CID 137423640

IUPAC5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine
SMILESNc1cnc(-c2ccc3ncccc3c2)c(-c2nccs2)n1
InChIInChI=1S/C16H11N5S/c17-13-9-20-14(15(21-13)16-19-6-7-22-16)11-3-4-12-10(8-11)2-1-5-18-12/h1-9H,(H2,17,21)
InChIKeyWYSHYHWNLHHFQM-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.40
Rot. Bonds2

About 5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine

5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine (PubChem CID 137423640) has the molecular formula C16H11N5S and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine
PubChem CID137423640
Molecular FormulaC16H11N5S
Molecular Weight305.37 g/mol
Exact Mass305.07
IUPAC Name5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine
SMILESNc1cnc(-c2ccc3ncccc3c2)c(-c2nccs2)n1
InChIInChI=1S/C16H11N5S/c17-13-9-20-14(15(21-13)16-19-6-7-22-16)11-3-4-12-10(8-11)2-1-5-18-12/h1-9H,(H2,17,21)
InChIKeyWYSHYHWNLHHFQM-UHFFFAOYSA-N
XLogP3.40
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine (CID 137423640) is 5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine is Nc1cnc(-c2ccc3ncccc3c2)c(-c2nccs2)n1.
What is the InChIKey of 5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
The InChIKey is WYSHYHWNLHHFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5S/c17-13-9-20-14(15(21-13)16-19-6-7-22-16)11-3-4-12-10(8-11)2-1-5-18-12/h1-9H,(H2,17,21).
What are the key properties of 5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine has a molecular weight of 305.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 137423640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).