2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C15H17BrFN3OS — CID 52691876

IUPAC2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cc2ccc(F)c(Br)c2)s1
InChIInChI=1S/C15H17BrFN3OS/c1-3-10(4-2)14-19-20-15(22-14)18-13(21)8-9-5-6-12(17)11(16)7-9/h5-7,10H,3-4,8H2,1-2H3,(H,18,20,21)
InChIKeyZUQDWRUAPVSTKX-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.52
Rot. Bonds6

About 2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 52691876) has the molecular formula C15H17BrFN3OS and a molecular weight of 386.29 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID52691876
Molecular FormulaC15H17BrFN3OS
Molecular Weight386.29 g/mol
Exact Mass385.03
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cc2ccc(F)c(Br)c2)s1
InChIInChI=1S/C15H17BrFN3OS/c1-3-10(4-2)14-19-20-15(22-14)18-13(21)8-9-5-6-12(17)11(16)7-9/h5-7,10H,3-4,8H2,1-2H3,(H,18,20,21)
InChIKeyZUQDWRUAPVSTKX-UHFFFAOYSA-N
XLogP4.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18076264
2-(3-bromo-4-fluorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 60526736
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623
2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 78804292
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 24668133
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600753
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
2-(3-fluorophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2675897
3-[(4-fluorophenyl)sulfonylamino]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 17192257
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18121682

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 52691876) is 2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCC(CC)c1nnc(NC(=O)Cc2ccc(F)c(Br)c2)s1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZUQDWRUAPVSTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3OS/c1-3-10(4-2)14-19-20-15(22-14)18-13(21)8-9-5-6-12(17)11(16)7-9/h5-7,10H,3-4,8H2,1-2H3,(H,18,20,21).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 386.29 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 52691876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).