1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide

C20H24N6O2S — CID 84564198

About 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide (PubChem CID 84564198) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide
• PubChem CID: 84564198
• Molecular Formula: C20H24N6O2S
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.17
• IUPAC Name: 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide
• SMILES: Cc1nc(NC(=O)CN2CCCC(C(=O)Nc3ccc4cn[nH]c4c3)C2)sc1C
• InChI: InChI=1S/C20H24N6O2S/c1-12-13(2)29-20(22-12)24-18(27)11-26-7-3-4-15(10-26)19(28)23-16-6-5-14-9-21-25-17(14)8-16/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,21,25)(H,23,28)(H,22,24,27)
• InChIKey: WIJAOZXTOWLDJH-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 103.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide (CID 84564198) is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide is Cc1nc(NC(=O)CN2CCCC(C(=O)Nc3ccc4cn[nH]c4c3)C2)sc1C.

What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide?

The InChIKey is WIJAOZXTOWLDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-12-13(2)29-20(22-12)24-18(27)11-26-7-3-4-15(10-26)19(28)23-16-6-5-14-9-21-25-17(14)8-16/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,21,25)(H,23,28)(H,22,24,27).

What are the key properties of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide?

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 84564198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).