4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

C18H17F3N4O2S — CID 78842114

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1nc(-c2cccc(NC(=O)CC(O)(c3nccn3C)C(F)(F)F)c2)cs1
InChIInChI=1S/C18H17F3N4O2S/c1-11-23-14(10-28-11)12-4-3-5-13(8-12)24-15(26)9-17(27,18(19,20)21)16-22-6-7-25(16)2/h3-8,10,27H,9H2,1-2H3,(H,24,26)
InChIKeyBEMJLIYHOQETOA-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.63
Rot. Bonds5

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 78842114) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID78842114
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1nc(-c2cccc(NC(=O)CC(O)(c3nccn3C)C(F)(F)F)c2)cs1
InChIInChI=1S/C18H17F3N4O2S/c1-11-23-14(10-28-11)12-4-3-5-13(8-12)24-15(26)9-17(27,18(19,20)21)16-22-6-7-25(16)2/h3-8,10,27H,9H2,1-2H3,(H,24,26)
InChIKeyBEMJLIYHOQETOA-UHFFFAOYSA-N
XLogP3.63
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-(3-methylimidazo[2,1-b]thiazol-6-yl)phenyl)butyramide
CID 7151263
US8759366, 3-hydroxy-3-[5-(3-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 67431797
N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)propanamide
CID 7151265
N-(3-(3-methylimidazo[2,1-b]thiazol-6-yl)phenyl)isobutyramide
CID 7151266
N-(3-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]acetamide
CID 53178285
N~1~-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]acetamide
CID 53178301
N-(3,4-Dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-YL)-1H-imidazol-1-YL]acetamide
CID 53178279
2-[4-(4-Methyl-1,3-thiazol-2-YL)-1H-imidazol-1-YL]-N-(3-methylphenyl)acetamide
CID 53178283
N~1~-(3,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]acetamide
CID 53178288
N~1~-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]acetamide
CID 53178290
N-(4-Methyl-1,3-thiazol-2-YL)-2-({1-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7150976
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 42937424

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 78842114) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is Cc1nc(-c2cccc(NC(=O)CC(O)(c3nccn3C)C(F)(F)F)c2)cs1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is BEMJLIYHOQETOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-11-23-14(10-28-11)12-4-3-5-13(8-12)24-15(26)9-17(27,18(19,20)21)16-22-6-7-25(16)2/h3-8,10,27H,9H2,1-2H3,(H,24,26).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 410.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 78842114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).