N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide

C20H17F3N4O3S — CID 30941086

IUPACN-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C20H17F3N4O3S/c1-12(28)24-14-3-2-4-15(9-14)25-18(29)10-16-11-31-19(27-16)26-13-5-7-17(8-6-13)30-20(21,22)23/h2-9,11H,10H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyPSHPOZWCOUQHHL-UHFFFAOYSA-N
MW450.44 g/mol
LogP4.92
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide

N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide (PubChem CID 30941086) has the molecular formula C20H17F3N4O3S and a molecular weight of 450.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
PubChem CID30941086
Molecular FormulaC20H17F3N4O3S
Molecular Weight450.44 g/mol
Exact Mass450.10
IUPAC NameN-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C20H17F3N4O3S/c1-12(28)24-14-3-2-4-15(9-14)25-18(29)10-16-11-31-19(27-16)26-13-5-7-17(8-6-13)30-20(21,22)23/h2-9,11H,10H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyPSHPOZWCOUQHHL-UHFFFAOYSA-N
XLogP4.92
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378040
N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940888
N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide
CID 30941849
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38205069
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 27377773
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940810
[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]amino] acetate
CID 21321153
N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940674
ethyl 4-[[2-(2-anilino-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 30940427
N-(3,4-difluorophenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941160
N-(3-chlorophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942363

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide (CID 30941086) is N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1cccc(NC(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is PSHPOZWCOUQHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S/c1-12(28)24-14-3-2-4-15(9-14)25-18(29)10-16-11-31-19(27-16)26-13-5-7-17(8-6-13)30-20(21,22)23/h2-9,11H,10H2,1H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 450.44 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30941086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).