4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide

C15H15F3N2O3S — CID 47840722

IUPAC4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1ccc(NC(=O)CC(O)(c2nc(C)cs2)C(F)(F)F)c(O)c1
InChIInChI=1S/C15H15F3N2O3S/c1-8-3-4-10(11(21)5-8)20-12(22)6-14(23,15(16,17)18)13-19-9(2)7-24-13/h3-5,7,21,23H,6H2,1-2H3,(H,20,22)
InChIKeyJLRCTWAUAXJZAD-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.24
Rot. Bonds4

About 4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide

4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 47840722) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID47840722
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1ccc(NC(=O)CC(O)(c2nc(C)cs2)C(F)(F)F)c(O)c1
InChIInChI=1S/C15H15F3N2O3S/c1-8-3-4-10(11(21)5-8)20-12(22)6-14(23,15(16,17)18)13-19-9(2)7-24-13/h3-5,7,21,23H,6H2,1-2H3,(H,20,22)
InChIKeyJLRCTWAUAXJZAD-UHFFFAOYSA-N
XLogP3.24
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47801579
4,4,4-trifluoro-3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47841743
3-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]butanoic acid
CID 119221645
(3S)-1-(azepan-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 95203477
N-[(2-chlorophenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47801553
4-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]butanoic acid
CID 119171134
(3R)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 95148779
2-methyl-2-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]butanoic acid
CID 119199847
4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-phenylmethoxybutanamide
CID 51128862
(3S)-N-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 95203632
1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclopentane-1-carboxylic acid
CID 119176829
(3S)-N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 97073729

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 47840722) is 4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1ccc(NC(=O)CC(O)(c2nc(C)cs2)C(F)(F)F)c(O)c1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is JLRCTWAUAXJZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-8-3-4-10(11(21)5-8)20-12(22)6-14(23,15(16,17)18)13-19-9(2)7-24-13/h3-5,7,21,23H,6H2,1-2H3,(H,20,22).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 360.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 47840722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).