4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide

C15H8BrF2N3OS — CID 86941977

IUPAC4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(Br)cc1F
InChIInChI=1S/C15H8BrF2N3OS/c16-9-3-6-11(12(18)7-9)14(22)20-15-19-13(21-23-15)8-1-4-10(17)5-2-8/h1-7H,(H,19,20,21,22)
InChIKeyLKJFGPHVLOEVFE-UHFFFAOYSA-N
MW396.22 g/mol
LogP4.50
Rot. Bonds3

About 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide

4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 86941977) has the molecular formula C15H8BrF2N3OS and a molecular weight of 396.22 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID86941977
Molecular FormulaC15H8BrF2N3OS
Molecular Weight396.22 g/mol
Exact Mass394.95
IUPAC Name4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(Br)cc1F
InChIInChI=1S/C15H8BrF2N3OS/c16-9-3-6-11(12(18)7-9)14(22)20-15-19-13(21-23-15)8-1-4-10(17)5-2-8/h1-7H,(H,19,20,21,22)
InChIKeyLKJFGPHVLOEVFE-UHFFFAOYSA-N
XLogP4.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide 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-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 146076485
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 86942045
4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863689
2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 56503511
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide;hydrochloride
CID 118711458
4-(1,3-dithian-2-yl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86942136
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 86941996

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 86941977) is 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide is O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is LKJFGPHVLOEVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF2N3OS/c16-9-3-6-11(12(18)7-9)14(22)20-15-19-13(21-23-15)8-1-4-10(17)5-2-8/h1-7H,(H,19,20,21,22).
What are the key properties of 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide?
4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 396.22 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 86941977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).