[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C19H15F3N2O3S — CID 18231050

IUPAC[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCc1ccc(-c2nc(COC(=O)Cn3cc(C(F)(F)F)ccc3=O)cs2)cc1
InChIInChI=1S/C19H15F3N2O3S/c1-12-2-4-13(5-3-12)18-23-15(11-28-18)10-27-17(26)9-24-8-14(19(20,21)22)6-7-16(24)25/h2-8,11H,9-10H2,1H3
InChIKeyFYODQKFAOMLILO-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.04
Rot. Bonds5

About [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 18231050) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID18231050
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCc1ccc(-c2nc(COC(=O)Cn3cc(C(F)(F)F)ccc3=O)cs2)cc1
InChIInChI=1S/C19H15F3N2O3S/c1-12-2-4-13(5-3-12)18-23-15(11-28-18)10-27-17(26)9-24-8-14(19(20,21)22)6-7-16(24)25/h2-8,11H,9-10H2,1H3
InChIKeyFYODQKFAOMLILO-UHFFFAOYSA-N
XLogP4.04
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18271367
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
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[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094202
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 8852774
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-acetamidopropanoate
CID 7197599
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 40746831
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethylbenzoate
CID 7749255
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735564
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 18231050) is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is Cc1ccc(-c2nc(COC(=O)Cn3cc(C(F)(F)F)ccc3=O)cs2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is FYODQKFAOMLILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-12-2-4-13(5-3-12)18-23-15(11-28-18)10-27-17(26)9-24-8-14(19(20,21)22)6-7-16(24)25/h2-8,11H,9-10H2,1H3.
What are the key properties of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 408.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 18231050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).