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

C20H20N8OS — CID 169049353

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

N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(2H-tetrazol-5-ylmethyl)pyrrole-2-carboxamide (PubChem CID 169049353) has the molecular formula C20H20N8OS and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(2H-tetrazol-5-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(2H-tetrazol-5-ylmethyl)pyrrole-2-carboxamide
• PubChem CID: 169049353
• Molecular Formula: C20H20N8OS
• Molecular Weight: 420.50 g/mol
• Exact Mass: 420.15
• IUPAC Name: N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(2H-tetrazol-5-ylmethyl)pyrrole-2-carboxamide
• SMILES: O=C(Nc1nc([C@H]2CCCN2c2ccccc2)cs1)c1cccn1Cc1nn[nH]n1
• InChI: InChI=1S/C20H20N8OS/c29-19(17-9-4-10-27(17)12-18-23-25-26-24-18)22-20-21-15(13-30-20)16-8-5-11-28(16)14-6-2-1-3-7-14/h1-4,6-7,9-10,13,16H,5,8,11-12H2,(H,21,22,29)(H,23,24,25,26)/t16-/m1/s1
• InChIKey: QOLKMTWEVVCQAZ-MRXNPFEDSA-N
• XLogP: 3.10
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.50
LogP ≤ 5	3.10
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-(2H-tetrazol-5-ylmethyl)pyrrole-2-carboxamide?

The IUPAC name of N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(2H-tetrazol-5-ylmethyl)pyrrole-2-carboxamide (CID 169049353) is N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(2H-tetrazol-5-ylmethyl)pyrrole-2-carboxamide.

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

The canonical SMILES for N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(2H-tetrazol-5-ylmethyl)pyrrole-2-carboxamide is O=C(Nc1nc([C@H]2CCCN2c2ccccc2)cs1)c1cccn1Cc1nn[nH]n1.

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

The InChIKey is QOLKMTWEVVCQAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N8OS/c29-19(17-9-4-10-27(17)12-18-23-25-26-24-18)22-20-21-15(13-30-20)16-8-5-11-28(16)14-6-2-1-3-7-14/h1-4,6-7,9-10,13,16H,5,8,11-12H2,(H,21,22,29)(H,23,24,25,26)/t16-/m1/s1.

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

N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(2H-tetrazol-5-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.10, 6 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-(2H-tetrazol-5-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 169049353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).