N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide

C24H19FN2O3S — CID 121148552

IUPACN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c(OC)c1
InChIInChI=1S/C24H19FN2O3S/c1-29-15-11-12-18(22(13-15)30-2)23(28)26-20-10-6-4-8-17(20)21-14-31-24(27-21)16-7-3-5-9-19(16)25/h3-14H,1-2H3,(H,26,28)
InChIKeyXQOWQJHVGINGIC-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.89
Rot. Bonds6

About N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide (PubChem CID 121148552) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
PubChem CID121148552
Molecular FormulaC24H19FN2O3S
Molecular Weight434.49 g/mol
Exact Mass434.11
IUPAC NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c(OC)c1
InChIInChI=1S/C24H19FN2O3S/c1-29-15-11-12-18(22(13-15)30-2)23(28)26-20-10-6-4-8-17(20)21-14-31-24(27-21)16-7-3-5-9-19(16)25/h3-14H,1-2H3,(H,26,28)
InChIKeyXQOWQJHVGINGIC-UHFFFAOYSA-N
XLogP5.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide
CID 86264886
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2,4-dimethoxybenzamide
CID 121148238
N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide
CID 59680100
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
8-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxochromene-3-carboxamide
CID 121148570
2,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626068
2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 121148642
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-(2-fluoro-5-methylphenyl)-2,4-dimethoxybenzamide
CID 16546475

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide (CID 121148552) is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c(OC)c1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide?
The InChIKey is XQOWQJHVGINGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c1-29-15-11-12-18(22(13-15)30-2)23(28)26-20-10-6-4-8-17(20)21-14-31-24(27-21)16-7-3-5-9-19(16)25/h3-14H,1-2H3,(H,26,28).
What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide?
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide has a molecular weight of 434.49 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 121148552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).