4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid

C22H19N5O3S — CID 169196419

About 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid

4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid (PubChem CID 169196419) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid
• PubChem CID: 169196419
• Molecular Formula: C22H19N5O3S
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.12
• IUPAC Name: 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid
• SMILES: CCc1nc(-c2cccc(C)n2)c(Oc2ccnc(Nc3ccnc(C(=O)O)c3)c2)s1
• InChI: InChI=1S/C22H19N5O3S/c1-3-19-27-20(16-6-4-5-13(2)25-16)22(31-19)30-15-8-10-24-18(12-15)26-14-7-9-23-17(11-14)21(28)29/h4-12H,3H2,1-2H3,(H,28,29)(H,23,24,26)
• InChIKey: ZTMLVTSTTQEWLG-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 110.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid?

The IUPAC name of 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid (CID 169196419) is 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid.

What is the SMILES notation for 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid?

The canonical SMILES for 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid is CCc1nc(-c2cccc(C)n2)c(Oc2ccnc(Nc3ccnc(C(=O)O)c3)c2)s1.

What is the InChIKey of 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid?

The InChIKey is ZTMLVTSTTQEWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-3-19-27-20(16-6-4-5-13(2)25-16)22(31-19)30-15-8-10-24-18(12-15)26-14-7-9-23-17(11-14)21(28)29/h4-12H,3H2,1-2H3,(H,28,29)(H,23,24,26).

What are the key properties of 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid?

4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid has a molecular weight of 433.49 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 169196419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).