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

C39H31Cl4F6LiN6O5S2 — CID 167560915

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

lithium;2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide (PubChem CID 167560915) has the molecular formula C39H31Cl4F6LiN6O5S2 and a molecular weight of 990.59 g/mol. Its IUPAC name is lithium;2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide
• PubChem CID: 167560915
• Molecular Formula: C39H31Cl4F6LiN6O5S2
• Molecular Weight: 990.59 g/mol
• Exact Mass: 988.06
• IUPAC Name: lithium;2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide
• SMILES: CC(C)c1sc(Nc2ncc(C(F)(F)F)cc2C(=O)O)nc1-c1ccc(Cl)cc1Cl.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Cl)cc2Cl)c(C(C)C)s1.[Li+].[OH-]
• InChI: InChI=1S/C20H16Cl2F3N3O2S.C19H14Cl2F3N3O2S.Li.H2O/c1-9(2)16-15(12-5-4-11(21)7-14(12)22)27-19(31-16)28-17-13(18(29)30-3)6-10(8-26-17)20(23,24)25;1-8(2)15-14(11-4-3-10(20)6-13(11)21)26-18(30-15)27-16-12(17(28)29)5-9(7-25-16)19(22,23)24;;/h4-9H,1-3H3,(H,26,27,28);3-8H,1-2H3,(H,28,29)(H,25,26,27);;1H2/q;;+1;/p-1
• InChIKey: DQKNYXKVPBBCAU-UHFFFAOYSA-M
• XLogP: 11.11
• TPSA: 169.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	990.59
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of lithium;2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide (CID 167560915) is lithium;2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide.

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

The canonical SMILES for lithium;2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide is CC(C)c1sc(Nc2ncc(C(F)(F)F)cc2C(=O)O)nc1-c1ccc(Cl)cc1Cl.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Cl)cc2Cl)c(C(C)C)s1.[Li+].[OH-].

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

The InChIKey is DQKNYXKVPBBCAU-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16Cl2F3N3O2S.C19H14Cl2F3N3O2S.Li.H2O/c1-9(2)16-15(12-5-4-11(21)7-14(12)22)27-19(31-16)28-17-13(18(29)30-3)6-10(8-26-17)20(23,24)25;1-8(2)15-14(11-4-3-10(20)6-13(11)21)26-18(30-15)27-16-12(17(28)29)5-9(7-25-16)19(22,23)24;;/h4-9H,1-3H3,(H,26,27,28);3-8H,1-2H3,(H,28,29)(H,25,26,27);;1H2/q;;+1;/p-1.

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

lithium;2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide has a molecular weight of 990.59 g/mol, XLogP of 11.11, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 167560915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).