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

C14H18F3N3O3S — CID 47806532

IUPAC4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NC2CCCCNC2=O)C(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O3S/c1-8-7-24-12(19-8)13(23,14(15,16)17)6-10(21)20-9-4-2-3-5-18-11(9)22/h7,9,23H,2-6H2,1H3,(H,18,22)(H,20,21)
InChIKeyOBSPSCBVEHUZAD-UHFFFAOYSA-N
MW365.38 g/mol
LogP1.38
Rot. Bonds4

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

4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide (PubChem CID 47806532) has the molecular formula C14H18F3N3O3S and a molecular weight of 365.38 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide
PubChem CID47806532
Molecular FormulaC14H18F3N3O3S
Molecular Weight365.38 g/mol
Exact Mass365.10
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NC2CCCCNC2=O)C(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O3S/c1-8-7-24-12(19-8)13(23,14(15,16)17)6-10(21)20-9-4-2-3-5-18-11(9)22/h7,9,23H,2-6H2,1H3,(H,18,22)(H,20,21)
InChIKeyOBSPSCBVEHUZAD-UHFFFAOYSA-N
XLogP1.38
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-Trifluoro-3-hydroxy-1-(4-methylazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 51128894
4,4,4-Trifluoro-3-hydroxy-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 47074871
N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47801609
N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47801617
N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47801754
4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 47802762
N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47805011
4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide
CID 47842616
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 49072311
N-(3,3-dimethylbutyl)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 51099890
N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide
CID 51128879
Ethyl 2-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]propanoate
CID 51128887

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide (CID 47806532) is 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide is Cc1csc(C(O)(CC(=O)NC2CCCCNC2=O)C(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide?
The InChIKey is OBSPSCBVEHUZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3S/c1-8-7-24-12(19-8)13(23,14(15,16)17)6-10(21)20-9-4-2-3-5-18-11(9)22/h7,9,23H,2-6H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide has a molecular weight of 365.38 g/mol, XLogP of 1.38, 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-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide is sourced from PubChem (CID 47806532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).