2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C19H12N4O2S — CID 46896392

About 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 46896392) has the molecular formula C19H12N4O2S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
• PubChem CID: 46896392
• Molecular Formula: C19H12N4O2S
• Molecular Weight: 360.40 g/mol
• Exact Mass: 360.07
• IUPAC Name: 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
• SMILES: Cc1nc(-c2cc(C#N)c3[nH]c(-c4ccccn4)cc3c2)sc1C(=O)O
• InChI: InChI=1S/C19H12N4O2S/c1-10-17(19(24)25)26-18(22-10)12-6-11-8-15(14-4-2-3-5-21-14)23-16(11)13(7-12)9-20/h2-8,23H,1H3,(H,24,25)
• InChIKey: XEILRSQPMLRXIT-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 102.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.40
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?

The IUPAC name of 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 46896392) is 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

What is the SMILES notation for 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?

The canonical SMILES for 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2cc(C#N)c3[nH]c(-c4ccccn4)cc3c2)sc1C(=O)O.

What is the InChIKey of 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?

The InChIKey is XEILRSQPMLRXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2S/c1-10-17(19(24)25)26-18(22-10)12-6-11-8-15(14-4-2-3-5-21-14)23-16(11)13(7-12)9-20/h2-8,23H,1H3,(H,24,25).

What are the key properties of 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?

2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 360.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-cyano-2-pyridin-2-yl-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 46896392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).