N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide

C27H31N7O4S2 — CID 67514891

About N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide

N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 67514891) has the molecular formula C27H31N7O4S2 and a molecular weight of 581.72 g/mol. Its IUPAC name is N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide
• PubChem CID: 67514891
• Molecular Formula: C27H31N7O4S2
• Molecular Weight: 581.72 g/mol
• Exact Mass: 581.19
• IUPAC Name: N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(N)Cc4ccccc4)o3)nc(N(C)S(C)(=O)=O)c2)n1
• InChI: InChI=1S/C27H31N7O4S2/c1-17-16-39-24(29-17)21-11-8-12-34(21)25(35)19-13-20(30-22(14-19)33(3)40(4,36)37)23-31-32-26(38-23)27(2,28)15-18-9-6-5-7-10-18/h5-7,9-10,13-14,16,21H,8,11-12,15,28H2,1-4H3/t21-,27+/m1/s1
• InChIKey: ALZQZTMFEXQQID-ZBLYBZFDSA-N
• XLogP: 3.69
• TPSA: 148.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.72
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide (CID 67514891) is N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(N)Cc4ccccc4)o3)nc(N(C)S(C)(=O)=O)c2)n1.

What is the InChIKey of N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide?

The InChIKey is ALZQZTMFEXQQID-ZBLYBZFDSA-N. The full InChI is InChI=1S/C27H31N7O4S2/c1-17-16-39-24(29-17)21-11-8-12-34(21)25(35)19-13-20(30-22(14-19)33(3)40(4,36)37)23-31-32-26(38-23)27(2,28)15-18-9-6-5-7-10-18/h5-7,9-10,13-14,16,21H,8,11-12,15,28H2,1-4H3/t21-,27+/m1/s1.

What are the key properties of N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide?

N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 581.72 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 67514891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).