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

C10H7BrFN3OS — CID 719954

IUPAC4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(Br)cc2F)s1
InChIInChI=1S/C10H7BrFN3OS/c1-5-14-15-10(17-5)13-9(16)7-3-2-6(11)4-8(7)12/h2-4H,1H3,(H,13,15,16)
InChIKeyNFYMHZRIGRYLBT-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.00
Rot. Bonds2

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

4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 719954) has the molecular formula C10H7BrFN3OS and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID719954
Molecular FormulaC10H7BrFN3OS
Molecular Weight316.16 g/mol
Exact Mass314.95
IUPAC Name4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(Br)cc2F)s1
InChIInChI=1S/C10H7BrFN3OS/c1-5-14-15-10(17-5)13-9(16)7-3-2-6(11)4-8(7)12/h2-4H,1H3,(H,13,15,16)
InChIKeyNFYMHZRIGRYLBT-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 719954) is 4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(Br)cc2F)s1.
What is the InChIKey of 4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is NFYMHZRIGRYLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3OS/c1-5-14-15-10(17-5)13-9(16)7-3-2-6(11)4-8(7)12/h2-4H,1H3,(H,13,15,16).
What are the key properties of 4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-bromo-2-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 4-bromo-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 719954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).