5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide

C21H21FN2O2S — CID 87650795

IUPAC5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide
SMILESCC(c1ccc(F)cc1)C(CC(C(=O)NO)c1nccs1)c1ccccc1
InChIInChI=1S/C21H21FN2O2S/c1-14(15-7-9-17(22)10-8-15)18(16-5-3-2-4-6-16)13-19(20(25)24-26)21-23-11-12-27-21/h2-12,14,18-19,26H,13H2,1H3,(H,24,25)
InChIKeyNLIBZSFWBWXNBB-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.85
Rot. Bonds7

About 5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide

5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide (PubChem CID 87650795) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide
PubChem CID87650795
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide
SMILESCC(c1ccc(F)cc1)C(CC(C(=O)NO)c1nccs1)c1ccccc1
InChIInChI=1S/C21H21FN2O2S/c1-14(15-7-9-17(22)10-8-15)18(16-5-3-2-4-6-16)13-19(20(25)24-26)21-23-11-12-27-21/h2-12,14,18-19,26H,13H2,1H3,(H,24,25)
InChIKeyNLIBZSFWBWXNBB-UHFFFAOYSA-N
XLogP4.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide (CID 87650795) is 5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide is CC(c1ccc(F)cc1)C(CC(C(=O)NO)c1nccs1)c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide?
The InChIKey is NLIBZSFWBWXNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-14(15-7-9-17(22)10-8-15)18(16-5-3-2-4-6-16)13-19(20(25)24-26)21-23-11-12-27-21/h2-12,14,18-19,26H,13H2,1H3,(H,24,25).
What are the key properties of 5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide?
5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide has a molecular weight of 384.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-hydroxy-4-phenyl-2-(1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 87650795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).