N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide

C22H24N8OS — CID 162743633

About N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide

N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide (PubChem CID 162743633) has the molecular formula C22H24N8OS and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide
• PubChem CID: 162743633
• Molecular Formula: C22H24N8OS
• Molecular Weight: 448.56 g/mol
• Exact Mass: 448.18
• IUPAC Name: N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide
• SMILES: O=C(Nc1nc([C@H]2CCCN2c2ccccc2)cs1)c1cccn1CCCc1nn[nH]n1
• InChI: InChI=1S/C22H24N8OS/c31-21(19-10-4-12-29(19)13-6-11-20-25-27-28-26-20)24-22-23-17(15-32-22)18-9-5-14-30(18)16-7-2-1-3-8-16/h1-4,7-8,10,12,15,18H,5-6,9,11,13-14H2,(H,23,24,31)(H,25,26,27,28)/t18-/m1/s1
• InChIKey: PFYXCTJAWPSULF-GOSISDBHSA-N
• XLogP: 3.68
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.56
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide?

The IUPAC name of N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide (CID 162743633) is N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide.

What is the SMILES notation for N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide?

The canonical SMILES for N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide is O=C(Nc1nc([C@H]2CCCN2c2ccccc2)cs1)c1cccn1CCCc1nn[nH]n1.

What is the InChIKey of N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide?

The InChIKey is PFYXCTJAWPSULF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N8OS/c31-21(19-10-4-12-29(19)13-6-11-20-25-27-28-26-20)24-22-23-17(15-32-22)18-9-5-14-30(18)16-7-2-1-3-8-16/h1-4,7-8,10,12,15,18H,5-6,9,11,13-14H2,(H,23,24,31)(H,25,26,27,28)/t18-/m1/s1.

What are the key properties of N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide?

N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide has a molecular weight of 448.56 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-[3-(2H-tetrazol-5-yl)propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 162743633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).