1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

C26H25N5O2S — CID 162743790

About 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (PubChem CID 162743790) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
• PubChem CID: 162743790
• Molecular Formula: C26H25N5O2S
• Molecular Weight: 471.59 g/mol
• Exact Mass: 471.17
• IUPAC Name: 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
• SMILES: NC(=O)c1ccc(Cn2cccc2C(=O)Nc2nc([C@H]3CCCN3c3ccccc3)cs2)cc1
• InChI: InChI=1S/C26H25N5O2S/c27-24(32)19-12-10-18(11-13-19)16-30-14-4-9-23(30)25(33)29-26-28-21(17-34-26)22-8-5-15-31(22)20-6-2-1-3-7-20/h1-4,6-7,9-14,17,22H,5,8,15-16H2,(H2,27,32)(H,28,29,33)/t22-/m1/s1
• InChIKey: PFDZITCHYJMXIB-JOCHJYFZSA-N
• XLogP: 4.69
• TPSA: 93.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.59
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?

The IUPAC name of 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (CID 162743790) is 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.

What is the SMILES notation for 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?

The canonical SMILES for 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is NC(=O)c1ccc(Cn2cccc2C(=O)Nc2nc([C@H]3CCCN3c3ccccc3)cs2)cc1.

What is the InChIKey of 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?

The InChIKey is PFDZITCHYJMXIB-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H25N5O2S/c27-24(32)19-12-10-18(11-13-19)16-30-14-4-9-23(30)25(33)29-26-28-21(17-34-26)22-8-5-15-31(22)20-6-2-1-3-7-20/h1-4,6-7,9-14,17,22H,5,8,15-16H2,(H2,27,32)(H,28,29,33)/t22-/m1/s1.

What are the key properties of 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?

1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-carbamoylphenyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 162743790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).