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

C35H25Cl4N14NaO5S2 — CID 167542429

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

sodium;2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;hydroxide (PubChem CID 167542429) has the molecular formula C35H25Cl4N14NaO5S2 and a molecular weight of 950.61 g/mol. Its IUPAC name is sodium;2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;hydroxide
• PubChem CID: 167542429
• Molecular Formula: C35H25Cl4N14NaO5S2
• Molecular Weight: 950.61 g/mol
• Exact Mass: 948.02
• IUPAC Name: sodium;2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;hydroxide
• SMILES: COC(=O)c1cccnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2nnnn2C)s1.Cn1nnnc1-c1sc(Nc2ncccc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.[Na+].[OH-]
• InChI: InChI=1S/C18H13Cl2N7O2S.C17H11Cl2N7O2S.Na.H2O/c1-27-16(24-25-26-27)14-13(9-5-6-11(19)12(20)8-9)22-18(30-14)23-15-10(17(28)29-2)4-3-7-21-15;1-26-15(23-24-25-26)13-12(8-4-5-10(18)11(19)7-8)21-17(29-13)22-14-9(16(27)28)3-2-6-20-14;;/h3-8H,1-2H3,(H,21,22,23);2-7H,1H3,(H,27,28)(H,20,21,22);;1H2/q;;+1;/p-1
• InChIKey: BJEQXDXIGYPGBH-UHFFFAOYSA-M
• XLogP: 5.20
• TPSA: 256.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	950.61
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of sodium;2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;hydroxide (CID 167542429) is sodium;2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;hydroxide.

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

The canonical SMILES for sodium;2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;hydroxide is COC(=O)c1cccnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2nnnn2C)s1.Cn1nnnc1-c1sc(Nc2ncccc2C(=O)O)nc1-c1ccc(Cl)c(Cl)c1.[Na+].[OH-].

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

The InChIKey is BJEQXDXIGYPGBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13Cl2N7O2S.C17H11Cl2N7O2S.Na.H2O/c1-27-16(24-25-26-27)14-13(9-5-6-11(19)12(20)8-9)22-18(30-14)23-15-10(17(28)29-2)4-3-7-21-15;1-26-15(23-24-25-26)13-12(8-4-5-10(18)11(19)7-8)21-17(29-13)22-14-9(16(27)28)3-2-6-20-14;;/h3-8H,1-2H3,(H,21,22,23);2-7H,1H3,(H,27,28)(H,20,21,22);;1H2/q;;+1;/p-1.

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

sodium;2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;hydroxide has a molecular weight of 950.61 g/mol, XLogP of 5.20, 10 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;methyl 2-[[4-(3,4-dichlorophenyl)-5-(1-methyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 167542429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).