2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide

C24H17F3N2OS — CID 108738396

IUPAC2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccc(F)c(F)c4F)cc3)n2)cc1
InChIInChI=1S/C24H17F3N2OS/c1-14-2-6-16(7-3-14)20-13-31-24(29-20)17-8-4-15(5-9-17)12-28-23(30)18-10-11-19(25)22(27)21(18)26/h2-11,13H,12H2,1H3,(H,28,30)
InChIKeyZELCMIXSRFVWJJ-UHFFFAOYSA-N
MW438.47 g/mol
LogP6.13
Rot. Bonds5

About 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide

2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide (PubChem CID 108738396) has the molecular formula C24H17F3N2OS and a molecular weight of 438.47 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
PubChem CID108738396
Molecular FormulaC24H17F3N2OS
Molecular Weight438.47 g/mol
Exact Mass438.10
IUPAC Name2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccc(F)c(F)c4F)cc3)n2)cc1
InChIInChI=1S/C24H17F3N2OS/c1-14-2-6-16(7-3-14)20-13-31-24(29-20)17-8-4-15(5-9-17)12-28-23(30)18-10-11-19(25)22(27)21(18)26/h2-11,13H,12H2,1H3,(H,28,30)
InChIKeyZELCMIXSRFVWJJ-UHFFFAOYSA-N
XLogP6.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.47
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761194
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3,4-trifluorobenzamide
CID 108748174
3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738384
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pentanamide
CID 108738364
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
1,1-diethyl-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108738416
ethyl [4-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108761174
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide (CID 108738396) is 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide is Cc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccc(F)c(F)c4F)cc3)n2)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is ZELCMIXSRFVWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2OS/c1-14-2-6-16(7-3-14)20-13-31-24(29-20)17-8-4-15(5-9-17)12-28-23(30)18-10-11-19(25)22(27)21(18)26/h2-11,13H,12H2,1H3,(H,28,30).
What are the key properties of 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 438.47 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 108738396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).