N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide

C22H14F5N3O2S — CID 24765679

IUPACN-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESCc1nc(C)c(-c2nc(NC(=O)c3c(F)cccc3F)sc2-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C22H14F5N3O2S/c1-10-18(32-11(2)28-10)17-19(12-5-3-6-13(9-12)22(25,26)27)33-21(29-17)30-20(31)16-14(23)7-4-8-15(16)24/h3-9H,1-2H3,(H,29,30,31)
InChIKeyGHWIFWNGXKKHRQ-UHFFFAOYSA-N
MW479.43 g/mol
LogP6.63
Rot. Bonds4

About N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide

N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide (PubChem CID 24765679) has the molecular formula C22H14F5N3O2S and a molecular weight of 479.43 g/mol. Its IUPAC name is N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide
PubChem CID24765679
Molecular FormulaC22H14F5N3O2S
Molecular Weight479.43 g/mol
Exact Mass479.07
IUPAC NameN-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESCc1nc(C)c(-c2nc(NC(=O)c3c(F)cccc3F)sc2-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C22H14F5N3O2S/c1-10-18(32-11(2)28-10)17-19(12-5-3-6-13(9-12)22(25,26)27)33-21(29-17)30-20(31)16-14(23)7-4-8-15(16)24/h3-9H,1-2H3,(H,29,30,31)
InChIKeyGHWIFWNGXKKHRQ-UHFFFAOYSA-N
XLogP6.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.43
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 59004529
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate;methyl 2-[(2,6-difluorobenzoyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 159602800
2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 143518114
N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 157389076
2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 90145514
sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide
CID 59004553
N-[4-(chloromethyl)-5-(3-methylphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 90145517
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 90145530
2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 87769243
N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 143518004

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide (CID 24765679) is N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide is Cc1nc(C)c(-c2nc(NC(=O)c3c(F)cccc3F)sc2-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The InChIKey is GHWIFWNGXKKHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N3O2S/c1-10-18(32-11(2)28-10)17-19(12-5-3-6-13(9-12)22(25,26)27)33-21(29-17)30-20(31)16-14(23)7-4-8-15(16)24/h3-9H,1-2H3,(H,29,30,31).
What are the key properties of N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide has a molecular weight of 479.43 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 24765679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).