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

C33H35F3N4S — CID 46852866

IUPACN-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nc(C(F)(F)F)c(-c3ccccc3)s1)c1ccccc12
InChIInChI=1S/C33H35F3N4S/c1-31(2,3)21-39-19-17-32(18-20-39)22-40(26-15-9-7-13-24(26)32)27-16-10-8-14-25(27)37-30-38-29(33(34,35)36)28(41-30)23-11-5-4-6-12-23/h4-16H,17-22H2,1-3H3,(H,37,38)
InChIKeyOHUALILQGYGFMF-UHFFFAOYSA-N
MW576.73 g/mol
LogP9.10
Rot. Bonds5

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

N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 46852866) has the molecular formula C33H35F3N4S and a molecular weight of 576.73 g/mol. Its IUPAC name is N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID46852866
Molecular FormulaC33H35F3N4S
Molecular Weight576.73 g/mol
Exact Mass576.25
IUPAC NameN-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nc(C(F)(F)F)c(-c3ccccc3)s1)c1ccccc12
InChIInChI=1S/C33H35F3N4S/c1-31(2,3)21-39-19-17-32(18-20-39)22-40(26-15-9-7-13-24(26)32)27-16-10-8-14-25(27)37-30-38-29(33(34,35)36)28(41-30)23-11-5-4-6-12-23/h4-16H,17-22H2,1-3H3,(H,37,38)
InChIKeyOHUALILQGYGFMF-UHFFFAOYSA-N
XLogP9.10
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.73
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 9421387
4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2121058
N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 11983463
N-[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 46852400
N-[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 46852558
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
4-[[2-[[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-2,3-dihydrobenzimidazol-1-yl]methyl]-1,3-thiazole
CID 57143274
N-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 88953199
N-[2-(3,3-dimethyl-3a,4-dihydro-2H-indol-1-yl)phenyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 141164889
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
4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole
CID 9421386
4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrochloride
CID 16245262

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-phenyl-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-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 46852866) is N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-phenyl-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-phenyl-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-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nc(C(F)(F)F)c(-c3ccccc3)s1)c1ccccc12.
What is the InChIKey of N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is OHUALILQGYGFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F3N4S/c1-31(2,3)21-39-19-17-32(18-20-39)22-40(26-15-9-7-13-24(26)32)27-16-10-8-14-25(27)37-30-38-29(33(34,35)36)28(41-30)23-11-5-4-6-12-23/h4-16H,17-22H2,1-3H3,(H,37,38).
What are the key properties of N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 576.73 g/mol, XLogP of 9.10, 5 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-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46852866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).