N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide

C24H18F3N3O2S — CID 42765523

IUPACN-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(Nc2nc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cs2)c1
InChIInChI=1S/C24H18F3N3O2S/c1-32-20-10-4-9-19(13-20)29-23-30-21(14-33-23)15-5-3-8-18(12-15)28-22(31)16-6-2-7-17(11-16)24(25,26)27/h2-14H,1H3,(H,28,31)(H,29,30)
InChIKeyNGVFJXJSQJIFPP-UHFFFAOYSA-N
MW469.49 g/mol
LogP6.83
Rot. Bonds6

About N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 42765523) has the molecular formula C24H18F3N3O2S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID42765523
Molecular FormulaC24H18F3N3O2S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC NameN-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(Nc2nc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cs2)c1
InChIInChI=1S/C24H18F3N3O2S/c1-32-20-10-4-9-19(13-20)29-23-30-21(14-33-23)15-5-3-8-18(12-15)28-22(31)16-6-2-7-17(11-16)24(25,26)27/h2-14H,1H3,(H,28,31)(H,29,30)
InChIKeyNGVFJXJSQJIFPP-UHFFFAOYSA-N
XLogP6.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
ethane;3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzoic acid
CID 156795689
N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
CID 42764822
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3523030
N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 3443963
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
methyl 2-[3-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55871510
trimethyl-[2-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]carbamoyloxy]ethyl]azanium
CID 156518224
5-nitro-N-[4-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 127048416

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 42765523) is N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide is COc1cccc(Nc2nc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cs2)c1.
What is the InChIKey of N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NGVFJXJSQJIFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S/c1-32-20-10-4-9-19(13-20)29-23-30-21(14-33-23)15-5-3-8-18(12-15)28-22(31)16-6-2-7-17(11-16)24(25,26)27/h2-14H,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 469.49 g/mol, XLogP of 6.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42765523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).