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

C28H35F3N4S — CID 143386508

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

N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]cyclohexa-1,3-dien-1-yl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 143386508) has the molecular formula C28H35F3N4S and a molecular weight of 516.68 g/mol. Its IUPAC name is N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]cyclohexa-1,3-dien-1-yl]-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]cyclohexa-1,3-dien-1-yl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
• PubChem CID: 143386508
• Molecular Formula: C28H35F3N4S
• Molecular Weight: 516.68 g/mol
• Exact Mass: 516.25
• IUPAC Name: N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]cyclohexa-1,3-dien-1-yl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
• SMILES: Cc1sc(NC2=C(N3CC4(CCN(CC(C)(C)C)CC4)c4ccccc43)C=CCC2)nc1C(F)(F)F
• InChI: InChI=1S/C28H35F3N4S/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/h5,7-9,11-12H,6,10,13-18H2,1-4H3,(H,32,33)
• InChIKey: FONIQKAVBQYPEB-UHFFFAOYSA-N
• XLogP: 7.34
• 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	516.68
LogP ≤ 5	7.34
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]cyclohexa-1,3-dien-1-yl]-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]cyclohexa-1,3-dien-1-yl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 143386508) is N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]cyclohexa-1,3-dien-1-yl]-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]cyclohexa-1,3-dien-1-yl]-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]cyclohexa-1,3-dien-1-yl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1sc(NC2=C(N3CC4(CCN(CC(C)(C)C)CC4)c4ccccc43)C=CCC2)nc1C(F)(F)F.

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

The InChIKey is FONIQKAVBQYPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N4S/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/h5,7-9,11-12H,6,10,13-18H2,1-4H3,(H,32,33).

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

N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]cyclohexa-1,3-dien-1-yl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 516.68 g/mol, XLogP of 7.34, 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]cyclohexa-1,3-dien-1-yl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143386508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).