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

C30H29F3N4S — CID 88953199

IUPACN-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCN1CCC2(CC1)CN(c1ccccc1Nc1nc(C(F)(F)F)c(-c3ccccc3)s1)c1ccccc12
InChIInChI=1S/C30H29F3N4S/c1-2-36-18-16-29(17-19-36)20-37(24-14-8-6-12-22(24)29)25-15-9-7-13-23(25)34-28-35-27(30(31,32)33)26(38-28)21-10-4-3-5-11-21/h3-15H,2,16-20H2,1H3,(H,34,35)
InChIKeyQOXZYNVMQPACHP-UHFFFAOYSA-N
MW534.65 g/mol
LogP8.08
Rot. Bonds5

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

N-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 88953199) has the molecular formula C30H29F3N4S and a molecular weight of 534.65 g/mol. Its IUPAC name is N-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID88953199
Molecular FormulaC30H29F3N4S
Molecular Weight534.65 g/mol
Exact Mass534.21
IUPAC NameN-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCN1CCC2(CC1)CN(c1ccccc1Nc1nc(C(F)(F)F)c(-c3ccccc3)s1)c1ccccc12
InChIInChI=1S/C30H29F3N4S/c1-2-36-18-16-29(17-19-36)20-37(24-14-8-6-12-22(24)29)25-15-9-7-13-23(25)34-28-35-27(30(31,32)33)26(38-28)21-10-4-3-5-11-21/h3-15H,2,16-20H2,1H3,(H,34,35)
InChIKeyQOXZYNVMQPACHP-UHFFFAOYSA-N
XLogP8.08
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.65
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 88953199) is N-[2-(1'-ethylspiro[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'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is CCN1CCC2(CC1)CN(c1ccccc1Nc1nc(C(F)(F)F)c(-c3ccccc3)s1)c1ccccc12.
What is the InChIKey of N-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is QOXZYNVMQPACHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N4S/c1-2-36-18-16-29(17-19-36)20-37(24-14-8-6-12-22(24)29)25-15-9-7-13-23(25)34-28-35-27(30(31,32)33)26(38-28)21-10-4-3-5-11-21/h3-15H,2,16-20H2,1H3,(H,34,35).
What are the key properties of N-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 534.65 g/mol, XLogP of 8.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1'-ethylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 88953199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).