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

C10H6BrF2N3OS — CID 113253817

IUPAC4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1nsc(NC(=O)c2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C10H6BrF2N3OS/c1-4-14-10(18-16-4)15-9(17)8-6(12)2-5(11)3-7(8)13/h2-3H,1H3,(H,14,15,16,17)
InChIKeyUNTDRASRFLNEJJ-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.14
Rot. Bonds2

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

4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 113253817) has the molecular formula C10H6BrF2N3OS and a molecular weight of 334.15 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID113253817
Molecular FormulaC10H6BrF2N3OS
Molecular Weight334.15 g/mol
Exact Mass332.94
IUPAC Name4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1nsc(NC(=O)c2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C10H6BrF2N3OS/c1-4-14-10(18-16-4)15-9(17)8-6(12)2-5(11)3-7(8)13/h2-3H,1H3,(H,14,15,16,17)
InChIKeyUNTDRASRFLNEJJ-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 115661242
4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 115745910
2,5-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 104705209
2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 114035114
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 103755613
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 106854400
3-amino-5-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1-benzothiophene-2-carboxamide
CID 114896813
N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide
CID 156781452
N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 17013680
3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 91900874
2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 130855459
4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide (CID 113253817) is 4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide is Cc1nsc(NC(=O)c2c(F)cc(Br)cc2F)n1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is UNTDRASRFLNEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3OS/c1-4-14-10(18-16-4)15-9(17)8-6(12)2-5(11)3-7(8)13/h2-3H,1H3,(H,14,15,16,17).
What are the key properties of 4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 334.15 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 113253817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).