N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C28H33F3N4S — CID 46852864

About N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 46852864) has the molecular formula C28H33F3N4S and a molecular weight of 514.66 g/mol. Its IUPAC name is N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
• PubChem CID: 46852864
• Molecular Formula: C28H33F3N4S
• Molecular Weight: 514.66 g/mol
• Exact Mass: 514.24
• IUPAC Name: N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
• SMILES: Cc1sc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3ccccc32)nc1C(F)(F)F
• InChI: InChI=1S/C28H33F3N4S/c1-19-24(28(29,30)31)33-25(36-19)32-21-10-6-8-12-23(21)35-18-27(20-9-5-7-11-22(20)35)13-15-34(16-14-27)17-26(2,3)4/h5-12H,13-18H2,1-4H3,(H,32,33)
• InChIKey: GWRDOSYPUZMDEW-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 31.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.66
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?

The IUPAC name of N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 46852864) is N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

What is the SMILES notation for N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?

The canonical SMILES for N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1sc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3ccccc32)nc1C(F)(F)F.

What is the InChIKey of N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?

The InChIKey is GWRDOSYPUZMDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N4S/c1-19-24(28(29,30)31)33-25(36-19)32-21-10-6-8-12-23(21)35-18-27(20-9-5-7-11-22(20)35)13-15-34(16-14-27)17-26(2,3)4/h5-12H,13-18H2,1-4H3,(H,32,33).

What are the key properties of N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?

N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 514.66 g/mol, XLogP of 7.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46852864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).