N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine

C20H17F3N2S — CID 78838868

IUPACN-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)c1ccc(-c2nc(CNC3CCc4ccccc43)cs2)cc1
InChIInChI=1S/C20H17F3N2S/c21-20(22,23)15-8-5-14(6-9-15)19-25-16(12-26-19)11-24-18-10-7-13-3-1-2-4-17(13)18/h1-6,8-9,12,18,24H,7,10-11H2
InChIKeyFXWAESYMKUUPSL-UHFFFAOYSA-N
MW374.43 g/mol
LogP5.61
Rot. Bonds4

About N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine

N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 78838868) has the molecular formula C20H17F3N2S and a molecular weight of 374.43 g/mol. Its IUPAC name is N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID78838868
Molecular FormulaC20H17F3N2S
Molecular Weight374.43 g/mol
Exact Mass374.11
IUPAC NameN-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)c1ccc(-c2nc(CNC3CCc4ccccc43)cs2)cc1
InChIInChI=1S/C20H17F3N2S/c21-20(22,23)15-8-5-14(6-9-15)19-25-16(12-26-19)11-24-18-10-7-13-3-1-2-4-17(13)18/h1-6,8-9,12,18,24H,7,10-11H2
InChIKeyFXWAESYMKUUPSL-UHFFFAOYSA-N
XLogP5.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine (CID 78838868) is N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine is FC(F)(F)c1ccc(-c2nc(CNC3CCc4ccccc43)cs2)cc1.
What is the InChIKey of N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FXWAESYMKUUPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2S/c21-20(22,23)15-8-5-14(6-9-15)19-25-16(12-26-19)11-24-18-10-7-13-3-1-2-4-17(13)18/h1-6,8-9,12,18,24H,7,10-11H2.
What are the key properties of N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 374.43 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78838868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).