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

C24H19FN2OS — CID 108761184

IUPAC4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccc(F)cc4)cc3)n2)cc1
InChIInChI=1S/C24H19FN2OS/c1-16-2-6-18(7-3-16)22-15-29-24(27-22)20-8-4-17(5-9-20)14-26-23(28)19-10-12-21(25)13-11-19/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyNWULDDXCODFDQY-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.85
Rot. Bonds5

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

4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide (PubChem CID 108761184) has the molecular formula C24H19FN2OS and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
PubChem CID108761184
Molecular FormulaC24H19FN2OS
Molecular Weight402.49 g/mol
Exact Mass402.12
IUPAC Name4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccc(F)cc4)cc3)n2)cc1
InChIInChI=1S/C24H19FN2OS/c1-16-2-6-18(7-3-16)22-15-29-24(27-22)20-8-4-17(5-9-20)14-26-23(28)19-10-12-21(25)13-11-19/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyNWULDDXCODFDQY-UHFFFAOYSA-N
XLogP5.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738384
ethyl [4-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108761174
2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738396
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761194
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397079
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729
1,1-diethyl-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108738416
4-(dimethylamino)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-nitrobenzamide
CID 108738372
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide (CID 108761184) is 4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide is Cc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccc(F)cc4)cc3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is NWULDDXCODFDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2OS/c1-16-2-6-18(7-3-16)22-15-29-24(27-22)20-8-4-17(5-9-20)14-26-23(28)19-10-12-21(25)13-11-19/h2-13,15H,14H2,1H3,(H,26,28).
What are the key properties of 4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 108761184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).