(3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium

C25H28F4N3O3SU- — CID 178134114

About (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium

(3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium (PubChem CID 178134114) has the molecular formula C25H28F4N3O3SU- and a molecular weight of 764.60 g/mol. Its IUPAC name is (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium.

Molecular Properties

• Compound Name: (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium
• PubChem CID: 178134114
• Molecular Formula: C25H28F4N3O3SU-
• Molecular Weight: 764.60 g/mol
• Exact Mass: 764.23
• IUPAC Name: (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium
• SMILES: CC(C)(C)C1CN(Cc2cnc(-c3cc(C#N)ccc3OC(F)F)s2)C[C@](CC[C-](F)F)(C(=O)O)C1.[U]
• InChI: InChI=1S/C25H28F4N3O3S.U/c1-24(2,3)16-9-25(22(33)34,7-6-20(26)27)14-32(12-16)13-17-11-31-21(36-17)18-8-15(10-30)4-5-19(18)35-23(28)29;/h4-5,8,11,16,23H,6-7,9,12-14H2,1-3H3,(H,33,34);/q-1;/t16?,25-;/m1./s1
• InChIKey: NOIKWWDDLLENLZ-IJAQIYQGSA-N
• XLogP: 6.43
• TPSA: 86.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.60
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium?

The IUPAC name of (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium (CID 178134114) is (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium.

What is the SMILES notation for (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium?

The canonical SMILES for (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium is CC(C)(C)C1CN(Cc2cnc(-c3cc(C#N)ccc3OC(F)F)s2)C[C@](CC[C-](F)F)(C(=O)O)C1.[U].

What is the InChIKey of (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium?

The InChIKey is NOIKWWDDLLENLZ-IJAQIYQGSA-N. The full InChI is InChI=1S/C25H28F4N3O3S.U/c1-24(2,3)16-9-25(22(33)34,7-6-20(26)27)14-32(12-16)13-17-11-31-21(36-17)18-8-15(10-30)4-5-19(18)35-23(28)29;/h4-5,8,11,16,23H,6-7,9,12-14H2,1-3H3,(H,33,34);/q-1;/t16?,25-;/m1./s1.

What are the key properties of (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium?

(3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium has a molecular weight of 764.60 g/mol, XLogP of 6.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-tert-butyl-1-[[2-[5-cyano-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;uranium is sourced from PubChem (CID 178134114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).