N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C23H28N8O2S2 — CID 164547412

About N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547412) has the molecular formula C23H28N8O2S2 and a molecular weight of 512.67 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547412
• Molecular Formula: C23H28N8O2S2
• Molecular Weight: 512.67 g/mol
• Exact Mass: 512.18
• IUPAC Name: N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1cc(C(=O)NCCN2CCCC2(C)C)sc1NC(=O)c1cnn2cc(-c3cnn(C)n3)sc12
• InChI: InChI=1S/C23H28N8O2S2/c1-14-10-17(20(33)24-7-9-30-8-5-6-23(30,2)3)34-21(14)27-19(32)15-11-26-31-13-18(35-22(15)31)16-12-25-29(4)28-16/h10-13H,5-9H2,1-4H3,(H,24,33)(H,27,32)
• InChIKey: PHYRTIZPIUQMOC-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.67
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547412) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1cc(C(=O)NCCN2CCCC2(C)C)sc1NC(=O)c1cnn2cc(-c3cnn(C)n3)sc12.

What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is PHYRTIZPIUQMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2S2/c1-14-10-17(20(33)24-7-9-30-8-5-6-23(30,2)3)34-21(14)27-19(32)15-11-26-31-13-18(35-22(15)31)16-12-25-29(4)28-16/h10-13H,5-9H2,1-4H3,(H,24,33)(H,27,32).

What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 512.67 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-(2-methyltriazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).