[(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid

C29H33N7O6S2 — CID 67514407

About [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid

[(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid (PubChem CID 67514407) has the molecular formula C29H33N7O6S2 and a molecular weight of 639.76 g/mol. Its IUPAC name is [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
• PubChem CID: 67514407
• Molecular Formula: C29H33N7O6S2
• Molecular Weight: 639.76 g/mol
• Exact Mass: 639.19
• IUPAC Name: [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)nc(N3CCCS3(O)O)c2)n1
• InChI: InChI=1S/C29H33N7O6S2/c1-18-17-43-25(30-18)22-10-6-11-35(22)26(37)20-14-21(31-23(15-20)36-12-7-13-44(36,40)41)24-33-34-27(42-24)29(2,32-28(38)39)16-19-8-4-3-5-9-19/h3-5,8-9,14-15,17,22,32,40-41H,6-7,10-13,16H2,1-2H3,(H,38,39)/t22-,29-/m1/s1
• InChIKey: JVPQOBGOLSGRSC-KPURRNSFSA-N
• XLogP: 5.48
• TPSA: 178.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	639.76
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The IUPAC name of [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid (CID 67514407) is [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid.

What is the SMILES notation for [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The canonical SMILES for [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)nc(N3CCCS3(O)O)c2)n1.

What is the InChIKey of [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The InChIKey is JVPQOBGOLSGRSC-KPURRNSFSA-N. The full InChI is InChI=1S/C29H33N7O6S2/c1-18-17-43-25(30-18)22-10-6-11-35(22)26(37)20-14-21(31-23(15-20)36-12-7-13-44(36,40)41)24-33-34-27(42-24)29(2,32-28(38)39)16-19-8-4-3-5-9-19/h3-5,8-9,14-15,17,22,32,40-41H,6-7,10-13,16H2,1-2H3,(H,38,39)/t22-,29-/m1/s1.

What are the key properties of [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

[(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid has a molecular weight of 639.76 g/mol, XLogP of 5.48, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[6-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 67514407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).