[2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate

C14H11F3N2O3S — CID 59581668

IUPAC[2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1c(C)cccc1C(=O)Nc1csc(C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2O3S/c1-7-4-3-5-9(11(7)22-8(2)20)12(21)18-10-6-23-13(19-10)14(15,16)17/h3-6H,1-2H3,(H,18,21)
InChIKeyKZBCWGDVLSILLW-UHFFFAOYSA-N
MW344.31 g/mol
LogP3.65
Rot. Bonds3

About [2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate

[2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate (PubChem CID 59581668) has the molecular formula C14H11F3N2O3S and a molecular weight of 344.31 g/mol. Its IUPAC name is [2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate
PubChem CID59581668
Molecular FormulaC14H11F3N2O3S
Molecular Weight344.31 g/mol
Exact Mass344.04
IUPAC Name[2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1c(C)cccc1C(=O)Nc1csc(C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2O3S/c1-7-4-3-5-9(11(7)22-8(2)20)12(21)18-10-6-23-13(19-10)14(15,16)17/h3-6H,1-2H3,(H,18,21)
InChIKeyKZBCWGDVLSILLW-UHFFFAOYSA-N
XLogP3.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate
CID 59581634
[2-bromo-6-[[4-(methanesulfonamido)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 25185278
(2-methyl-6-sulfanylphenyl) acetate
CID 174649835
[2-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]carbamoyl]phenyl] acetate
CID 59581661
[2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
CID 87723986
3-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450092
3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]benzoic acid
CID 107305796
2-fluoro-N-(6-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 79883704
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17234016
3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 16774965

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate?
The IUPAC name of [2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate (CID 59581668) is [2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate?
The canonical SMILES for [2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate is CC(=O)Oc1c(C)cccc1C(=O)Nc1csc(C(F)(F)F)n1.
What is the InChIKey of [2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate?
The InChIKey is KZBCWGDVLSILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3S/c1-7-4-3-5-9(11(7)22-8(2)20)12(21)18-10-6-23-13(19-10)14(15,16)17/h3-6H,1-2H3,(H,18,21).
What are the key properties of [2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate?
[2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate has a molecular weight of 344.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 59581668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).