2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one

C32H34F5N7O2S — CID 167211758

About 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one

2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one (PubChem CID 167211758) has the molecular formula C32H34F5N7O2S and a molecular weight of 675.73 g/mol. Its IUPAC name is 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
• PubChem CID: 167211758
• Molecular Formula: C32H34F5N7O2S
• Molecular Weight: 675.73 g/mol
• Exact Mass: 675.24
• IUPAC Name: 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
• SMILES: CNc1nc(-c2ccc(CN(C)NCC3SCC(=O)N3c3ccccc3C(C)C)cc2)nn1-c1ccc(OC(F)(F)C(F)(F)F)cc1
• InChI: InChI=1S/C32H34F5N7O2S/c1-20(2)25-7-5-6-8-26(25)43-27(45)19-47-28(43)17-39-42(4)18-21-9-11-22(12-10-21)29-40-30(38-3)44(41-29)23-13-15-24(16-14-23)46-32(36,37)31(33,34)35/h5-16,20,28,39H,17-19H2,1-4H3,(H,38,40,41)
• InChIKey: KYRGGOKLCKFZDE-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 87.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.73
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one?

The IUPAC name of 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one (CID 167211758) is 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one?

The canonical SMILES for 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one is CNc1nc(-c2ccc(CN(C)NCC3SCC(=O)N3c3ccccc3C(C)C)cc2)nn1-c1ccc(OC(F)(F)C(F)(F)F)cc1.

What is the InChIKey of 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one?

The InChIKey is KYRGGOKLCKFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F5N7O2S/c1-20(2)25-7-5-6-8-26(25)43-27(45)19-47-28(43)17-39-42(4)18-21-9-11-22(12-10-21)29-40-30(38-3)44(41-29)23-13-15-24(16-14-23)46-32(36,37)31(33,34)35/h5-16,20,28,39H,17-19H2,1-4H3,(H,38,40,41).

What are the key properties of 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one?

2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 675.73 g/mol, XLogP of 6.68, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-methyl-2-[[4-[5-(methylamino)-1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]hydrazinyl]methyl]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 167211758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).