N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide

C20H15F4N3O3S — CID 27443185

IUPACN-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cs2)cc1
InChIInChI=1S/C20H15F4N3O3S/c1-30-14-5-2-11(3-6-14)18(29)27-19-26-13(10-31-19)9-17(28)25-12-4-7-16(21)15(8-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyAPFZBGVOPWQYPO-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.74
Rot. Bonds6

About N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide

N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (PubChem CID 27443185) has the molecular formula C20H15F4N3O3S and a molecular weight of 453.42 g/mol. Its IUPAC name is N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
PubChem CID27443185
Molecular FormulaC20H15F4N3O3S
Molecular Weight453.42 g/mol
Exact Mass453.08
IUPAC NameN-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cs2)cc1
InChIInChI=1S/C20H15F4N3O3S/c1-30-14-5-2-11(3-6-14)18(29)27-19-26-13(10-31-19)9-17(28)25-12-4-7-16(21)15(8-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyAPFZBGVOPWQYPO-UHFFFAOYSA-N
XLogP4.74
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567938
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879212
4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 27463148
4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213386
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26841961
N-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 41226637
N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27901869
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (CID 27443185) is N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cs2)cc1.
What is the InChIKey of N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The InChIKey is APFZBGVOPWQYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O3S/c1-30-14-5-2-11(3-6-14)18(29)27-19-26-13(10-31-19)9-17(28)25-12-4-7-16(21)15(8-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,25,28)(H,26,27,29).
What are the key properties of N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide has a molecular weight of 453.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 27443185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).