2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C21H25FN4O2S — CID 24801670

About 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24801670) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 24801670
• Molecular Formula: C21H25FN4O2S
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.17
• IUPAC Name: 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(N2CCC(NCCC3CC3)C2=O)sc1C(=O)NCc1ccc(F)cc1
• InChI: InChI=1S/C21H25FN4O2S/c1-13-18(19(27)24-12-15-4-6-16(22)7-5-15)29-21(25-13)26-11-9-17(20(26)28)23-10-8-14-2-3-14/h4-7,14,17,23H,2-3,8-12H2,1H3,(H,24,27)
• InChIKey: PKNAXOJDAXMRQH-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 24801670) is 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCC(NCCC3CC3)C2=O)sc1C(=O)NCc1ccc(F)cc1.

What is the InChIKey of 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is PKNAXOJDAXMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c1-13-18(19(27)24-12-15-4-6-16(22)7-5-15)29-21(25-13)26-11-9-17(20(26)28)23-10-8-14-2-3-14/h4-7,14,17,23H,2-3,8-12H2,1H3,(H,24,27).

What are the key properties of 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?

2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24801670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).