sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide

C57H51Cl6FN11NaO3S3 — CID 167613634

About sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide

sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide (PubChem CID 167613634) has the molecular formula C57H51Cl6FN11NaO3S3 and a molecular weight of 1289.02 g/mol. Its IUPAC name is sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide.

Molecular Properties

• Compound Name: sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide
• PubChem CID: 167613634
• Molecular Formula: C57H51Cl6FN11NaO3S3
• Molecular Weight: 1289.02 g/mol
• Exact Mass: 1285.14
• IUPAC Name: sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide
• SMILES: CC(C)Cc1sc(N)nc1-c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(Nc2cccnc2C#N)nc1-c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(Nc2cccnc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.N#Cc1ncccc1F.[Na+].[OH-]
• InChI: InChI=1S/C19H16Cl2N4S.C19H17Cl2N3O2S.C13H14Cl2N2S.C6H3FN2.Na.H2O/c1-11(2)8-17-18(12-5-6-13(20)14(21)9-12)25-19(26-17)24-15-4-3-7-23-16(15)10-22;1-10(2)8-15-16(11-5-6-12(20)13(21)9-11)24-19(27-15)23-14-4-3-7-22-17(14)18(25)26;1-7(2)5-11-12(17-13(16)18-11)8-3-4-9(14)10(15)6-8;7-5-2-1-3-9-6(5)4-8;;/h3-7,9,11H,8H2,1-2H3,(H,24,25);3-7,9-10H,8H2,1-2H3,(H,23,24)(H,25,26);3-4,6-7H,5H2,1-2H3,(H2,16,17);1-3H;;1H2/q;;;;+1;/p-1
• InChIKey: LKMYKVVGAYHRRA-UHFFFAOYSA-M
• XLogP: 15.30
• TPSA: 242.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.02
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide?

The IUPAC name of sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide (CID 167613634) is sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide.

What is the SMILES notation for sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide?

The canonical SMILES for sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide is CC(C)Cc1sc(N)nc1-c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(Nc2cccnc2C#N)nc1-c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(Nc2cccnc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.N#Cc1ncccc1F.[Na+].[OH-].

What is the InChIKey of sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide?

The InChIKey is LKMYKVVGAYHRRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16Cl2N4S.C19H17Cl2N3O2S.C13H14Cl2N2S.C6H3FN2.Na.H2O/c1-11(2)8-17-18(12-5-6-13(20)14(21)9-12)25-19(26-17)24-15-4-3-7-23-16(15)10-22;1-10(2)8-15-16(11-5-6-12(20)13(21)9-11)24-19(27-15)23-14-4-3-7-22-17(14)18(25)26;1-7(2)5-11-12(17-13(16)18-11)8-3-4-9(14)10(15)6-8;7-5-2-1-3-9-6(5)4-8;;/h3-7,9,11H,8H2,1-2H3,(H,24,25);3-7,9-10H,8H2,1-2H3,(H,23,24)(H,25,26);3-4,6-7H,5H2,1-2H3,(H2,16,17);1-3H;;1H2/q;;;;+1;/p-1.

What are the key properties of sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide?

sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide has a molecular weight of 1289.02 g/mol, XLogP of 15.30, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carbonitrile;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;3-fluoropyridine-2-carbonitrile;hydroxide is sourced from PubChem (CID 167613634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).