6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane

C44H49ClN10S2Sn — CID 158537315

About 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane

6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane (PubChem CID 158537315) has the molecular formula C44H49ClN10S2Sn and a molecular weight of 936.24 g/mol. Its IUPAC name is 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane.

Molecular Properties

• Compound Name: 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane
• PubChem CID: 158537315
• Molecular Formula: C44H49ClN10S2Sn
• Molecular Weight: 936.24 g/mol
• Exact Mass: 936.23
• IUPAC Name: 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1nccs1.Nc1cnc(-c2ccc3ncccc3c2)c(-c2nccs2)n1.Nc1cnc(-c2ccc3ncccc3c2)c(Cl)n1
• InChI: InChI=1S/C16H11N5S.C13H9ClN4.3C4H9.C3H2NS.Sn/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;14-13-12(17-7-11(15)18-13)9-3-4-10-8(6-9)2-1-5-16-10;3*1-3-4-2;1-2-5-3-4-1;/h1-9H,(H2,17,21);1-7H,(H2,15,18);3*1,3-4H2,2H3;1-2H
• InChIKey: HOCFJDOHEIZQGO-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 155.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	936.24
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane?

The IUPAC name of 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane (CID 158537315) is 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane.

What is the SMILES notation for 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane?

The canonical SMILES for 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nccs1.Nc1cnc(-c2ccc3ncccc3c2)c(-c2nccs2)n1.Nc1cnc(-c2ccc3ncccc3c2)c(Cl)n1.

What is the InChIKey of 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane?

The InChIKey is HOCFJDOHEIZQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5S.C13H9ClN4.3C4H9.C3H2NS.Sn/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;14-13-12(17-7-11(15)18-13)9-3-4-10-8(6-9)2-1-5-16-10;3*1-3-4-2;1-2-5-3-4-1;/h1-9H,(H2,17,21);1-7H,(H2,15,18);3*1,3-4H2,2H3;1-2H;.

What are the key properties of 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane?

6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane has a molecular weight of 936.24 g/mol, XLogP of 11.52, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine;tributyl(1,3-thiazol-2-yl)stannane is sourced from PubChem (CID 158537315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).