5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole

C21H22N6S — CID 23590789

About 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole

5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole (PubChem CID 23590789) has the molecular formula C21H22N6S and a molecular weight of 390.52 g/mol. Its IUPAC name is 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole
• PubChem CID: 23590789
• Molecular Formula: C21H22N6S
• Molecular Weight: 390.52 g/mol
• Exact Mass: 390.16
• IUPAC Name: 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole
• SMILES: Cc1sc(-c2[nH]nc3c(C)cccc23)nc1-c1ccc(N2CCNCC2)nc1
• InChI: InChI=1S/C21H22N6S/c1-13-4-3-5-16-18(13)25-26-20(16)21-24-19(14(2)28-21)15-6-7-17(23-12-15)27-10-8-22-9-11-27/h3-7,12,22H,8-11H2,1-2H3,(H,25,26)
• InChIKey: NWIMSWWNGLORGG-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.52
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole?

The IUPAC name of 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole (CID 23590789) is 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole.

What is the SMILES notation for 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole?

The canonical SMILES for 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole is Cc1sc(-c2[nH]nc3c(C)cccc23)nc1-c1ccc(N2CCNCC2)nc1.

What is the InChIKey of 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole?

The InChIKey is NWIMSWWNGLORGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6S/c1-13-4-3-5-16-18(13)25-26-20(16)21-24-19(14(2)28-21)15-6-7-17(23-12-15)27-10-8-22-9-11-27/h3-7,12,22H,8-11H2,1-2H3,(H,25,26).

What are the key properties of 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole?

5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole has a molecular weight of 390.52 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-(7-methyl-2H-indazol-3-yl)-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 23590789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).