lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane

C54H65Cl3LiN11S3Sn — CID 158521153

About lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane

lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane (PubChem CID 158521153) has the molecular formula C54H65Cl3LiN11S3Sn and a molecular weight of 1196.40 g/mol. Its IUPAC name is lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane.

Molecular Properties

• Compound Name: lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane
• PubChem CID: 158521153
• Molecular Formula: C54H65Cl3LiN11S3Sn
• Molecular Weight: 1196.40 g/mol
• Exact Mass: 1195.28
• IUPAC Name: lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ncc(C)s1.Cc1cnc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)s1.Cc1cncs1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(Cl)n1.[CH2-]CCC.[Li+]
• InChI: InChI=1S/C17H12ClN5S.C13H8Cl2N4.C4H5NS.C4H4NS.4C4H9.Li.Sn/c1-9-7-22-17(24-9)16-15(21-8-13(19)23-16)11-5-10-3-2-4-20-14(10)12(18)6-11;14-9-5-8(4-7-2-1-3-17-11(7)9)12-13(15)19-10(16)6-18-12;2*1-4-2-5-3-6-4;4*1-3-4-2;;/h2-8H,1H3,(H2,19,23);1-6H,(H2,16,19);2-3H,1H3;2H,1H3;4*1,3-4H2,2H3;;/q;;;;;;;-1;+1
• InChIKey: IDNVRONXRHVOFJ-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 168.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1196.40
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane?

The IUPAC name of lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane (CID 158521153) is lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane.

What is the SMILES notation for lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane?

The canonical SMILES for lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ncc(C)s1.Cc1cnc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)s1.Cc1cncs1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(Cl)n1.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane?

The InChIKey is IDNVRONXRHVOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5S.C13H8Cl2N4.C4H5NS.C4H4NS.4C4H9.Li.Sn/c1-9-7-22-17(24-9)16-15(21-8-13(19)23-16)11-5-10-3-2-4-20-14(10)12(18)6-11;14-9-5-8(4-7-2-1-3-17-11(7)9)12-13(15)19-10(16)6-18-12;2*1-4-2-5-3-6-4;4*1-3-4-2;;/h2-8H,1H3,(H2,19,23);1-6H,(H2,16,19);2-3H,1H3;2H,1H3;4*1,3-4H2,2H3;;/q;;;;;;;-1;+1;.

What are the key properties of lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane?

lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane has a molecular weight of 1196.40 g/mol, XLogP of 13.52, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;butane;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-methyl-1,3-thiazole;tributyl-(5-methyl-1,3-thiazol-2-yl)stannane is sourced from PubChem (CID 158521153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).