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

C10H7BrFN3OS — CID 16563023

IUPAC2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(F)cc2Br)s1
InChIInChI=1S/C10H7BrFN3OS/c1-5-14-15-10(17-5)13-9(16)7-3-2-6(12)4-8(7)11/h2-4H,1H3,(H,13,15,16)
InChIKeyNMTBUWUIMMXRMD-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.00
Rot. Bonds2

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

2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 16563023) has the molecular formula C10H7BrFN3OS and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID16563023
Molecular FormulaC10H7BrFN3OS
Molecular Weight316.16 g/mol
Exact Mass314.95
IUPAC Name2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(F)cc2Br)s1
InChIInChI=1S/C10H7BrFN3OS/c1-5-14-15-10(17-5)13-9(16)7-3-2-6(12)4-8(7)11/h2-4H,1H3,(H,13,15,16)
InChIKeyNMTBUWUIMMXRMD-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 2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-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

2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 18198071
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 6941940
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 103975385
5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 115597803
5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772531
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide
CID 114912759

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 16563023) is 2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(F)cc2Br)s1.
What is the InChIKey of 2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is NMTBUWUIMMXRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3OS/c1-5-14-15-10(17-5)13-9(16)7-3-2-6(12)4-8(7)11/h2-4H,1H3,(H,13,15,16).
What are the key properties of 2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-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 2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 16563023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).