[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate

C16H15F3N2O3S2 — CID 97239064

IUPAC[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate
SMILESC[C@@H](OC(=O)CSCc1cscn1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3S2/c1-10(24-14(22)8-25-6-11-7-26-9-20-11)15(23)21-13-5-3-2-4-12(13)16(17,18)19/h2-5,7,9-10H,6,8H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyOBLHVZDIVHABIT-SNVBAGLBSA-N
MW404.44 g/mol
LogP3.97
Rot. Bonds7

About [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate

[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate (PubChem CID 97239064) has the molecular formula C16H15F3N2O3S2 and a molecular weight of 404.44 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate
PubChem CID97239064
Molecular FormulaC16H15F3N2O3S2
Molecular Weight404.44 g/mol
Exact Mass404.05
IUPAC Name[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate
SMILESC[C@@H](OC(=O)CSCc1cscn1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3S2/c1-10(24-14(22)8-25-6-11-7-26-9-20-11)15(23)21-13-5-3-2-4-12(13)16(17,18)19/h2-5,7,9-10H,6,8H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyOBLHVZDIVHABIT-SNVBAGLBSA-N
XLogP3.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate with MolForge

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Related Compounds

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 55522849
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate
CID 55418017
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 46618612
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-methylbenzoate
CID 4108022
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 55420710
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46621713
[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 9382770
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,1-dioxothiolan-3-yl)acetate
CID 55425725
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506121
N-(2-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110462978
[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8984198

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate?
The IUPAC name of [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate (CID 97239064) is [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate.
What is the SMILES notation for [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate?
The canonical SMILES for [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate is C[C@@H](OC(=O)CSCc1cscn1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate?
The InChIKey is OBLHVZDIVHABIT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15F3N2O3S2/c1-10(24-14(22)8-25-6-11-7-26-9-20-11)15(23)21-13-5-3-2-4-12(13)16(17,18)19/h2-5,7,9-10H,6,8H2,1H3,(H,21,23)/t10-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate?
[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate has a molecular weight of 404.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)acetate is sourced from PubChem (CID 97239064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).