lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide

C47H39Cl4LiN8O5S2 — CID 167533536

About lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide

lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide (PubChem CID 167533536) has the molecular formula C47H39Cl4LiN8O5S2 and a molecular weight of 1008.77 g/mol. Its IUPAC name is lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide
• PubChem CID: 167533536
• Molecular Formula: C47H39Cl4LiN8O5S2
• Molecular Weight: 1008.77 g/mol
• Exact Mass: 1006.14
• IUPAC Name: lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide
• SMILES: CC(C)c1sc(Nc2ncc(-c3ccccn3)cc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.COC(=O)c1cc(-c2ccccn2)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C(C)C)s1.[Li+].[OH-]
• InChI: InChI=1S/C24H20Cl2N4O2S.C23H18Cl2N4O2S.Li.H2O/c1-13(2)21-20(14-7-8-17(25)18(26)11-14)29-24(33-21)30-22-16(23(31)32-3)10-15(12-28-22)19-6-4-5-9-27-19;1-12(2)20-19(13-6-7-16(24)17(25)10-13)28-23(32-20)29-21-15(22(30)31)9-14(11-27-21)18-5-3-4-8-26-18;;/h4-13H,1-3H3,(H,28,29,30);3-12H,1-2H3,(H,30,31)(H,27,28,29);;1H2/q;;+1;/p-1
• InChIKey: AGZNYJZVZKITGO-UHFFFAOYSA-M
• XLogP: 11.19
• TPSA: 195.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1008.77
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide?

The IUPAC name of lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide (CID 167533536) is lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide.

What is the SMILES notation for lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide?

The canonical SMILES for lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide is CC(C)c1sc(Nc2ncc(-c3ccccn3)cc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.COC(=O)c1cc(-c2ccccn2)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C(C)C)s1.[Li+].[OH-].

What is the InChIKey of lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide?

The InChIKey is AGZNYJZVZKITGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20Cl2N4O2S.C23H18Cl2N4O2S.Li.H2O/c1-13(2)21-20(14-7-8-17(25)18(26)11-14)29-24(33-21)30-22-16(23(31)32-3)10-15(12-28-22)19-6-4-5-9-27-19;1-12(2)20-19(13-6-7-16(24)17(25)10-13)28-23(32-20)29-21-15(22(30)31)9-14(11-27-21)18-5-3-4-8-26-18;;/h4-13H,1-3H3,(H,28,29,30);3-12H,1-2H3,(H,30,31)(H,27,28,29);;1H2/q;;+1;/p-1.

What are the key properties of lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide?

lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide has a molecular weight of 1008.77 g/mol, XLogP of 11.19, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 167533536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).