3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H27N7O2S2 — CID 175936097

About 3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 175936097) has the molecular formula C24H27N7O2S2 and a molecular weight of 509.66 g/mol. Its IUPAC name is 3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: 3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 175936097
• Molecular Formula: C24H27N7O2S2
• Molecular Weight: 509.66 g/mol
• Exact Mass: 509.17
• IUPAC Name: 3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1cc(C(=O)NCCN2CCCC2(C)C)sc1-c1c(-c2cncnc2)sc2c(C(N)=O)cnn12
• InChI: InChI=1S/C24H27N7O2S2/c1-14-9-17(22(33)28-6-8-30-7-4-5-24(30,2)3)34-19(14)18-20(15-10-26-13-27-11-15)35-23-16(21(25)32)12-29-31(18)23/h9-13H,4-8H2,1-3H3,(H2,25,32)(H,28,33)
• InChIKey: WWJZNFYXJLCKKI-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 118.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.66
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 175936097) is 3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

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

The canonical SMILES for 3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1cc(C(=O)NCCN2CCCC2(C)C)sc1-c1c(-c2cncnc2)sc2c(C(N)=O)cnn12.

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

The InChIKey is WWJZNFYXJLCKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S2/c1-14-9-17(22(33)28-6-8-30-7-4-5-24(30,2)3)34-19(14)18-20(15-10-26-13-27-11-15)35-23-16(21(25)32)12-29-31(18)23/h9-13H,4-8H2,1-3H3,(H2,25,32)(H,28,33).

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

3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 509.66 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-3-methylthiophen-2-yl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 175936097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).