6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide

C10H7BrFN3OS — CID 165126571

IUPAC6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ncns2)c1F
InChIInChI=1S/C10H7BrFN3OS/c1-5-2-3-6(11)7(8(5)12)9(16)15-10-13-4-14-17-10/h2-4H,1H3,(H,13,14,15,16)
InChIKeyJUPMPTJIJZLXBD-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.00
Rot. Bonds2

About 6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide

6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 165126571) has the molecular formula C10H7BrFN3OS and a molecular weight of 316.16 g/mol. Its IUPAC name is 6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide
PubChem CID165126571
Molecular FormulaC10H7BrFN3OS
Molecular Weight316.16 g/mol
Exact Mass314.95
IUPAC Name6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ncns2)c1F
InChIInChI=1S/C10H7BrFN3OS/c1-5-2-3-6(11)7(8(5)12)9(16)15-10-13-4-14-17-10/h2-4H,1H3,(H,13,14,15,16)
InChIKeyJUPMPTJIJZLXBD-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-fluoro-3-methyl-N-(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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide (CID 165126571) is 6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide is Cc1ccc(Br)c(C(=O)Nc2ncns2)c1F.
What is the InChIKey of 6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is JUPMPTJIJZLXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3OS/c1-5-2-3-6(11)7(8(5)12)9(16)15-10-13-4-14-17-10/h2-4H,1H3,(H,13,14,15,16).
What are the key properties of 6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide?
6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 316.16 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 165126571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).