N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide

C15H9BrFN3OS — CID 1041763

IUPACN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccccc1F
InChIInChI=1S/C15H9BrFN3OS/c16-10-7-5-9(6-8-10)14-19-20-15(22-14)18-13(21)11-3-1-2-4-12(11)17/h1-8H,(H,18,20,21)
InChIKeyQQGXVAQGFYKEKF-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.36
Rot. Bonds3

About N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide (PubChem CID 1041763) has the molecular formula C15H9BrFN3OS and a molecular weight of 378.23 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
PubChem CID1041763
Molecular FormulaC15H9BrFN3OS
Molecular Weight378.23 g/mol
Exact Mass376.96
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccccc1F
InChIInChI=1S/C15H9BrFN3OS/c16-10-7-5-9(6-8-10)14-19-20-15(22-14)18-13(21)11-3-1-2-4-12(11)17/h1-8H,(H,18,20,21)
InChIKeyQQGXVAQGFYKEKF-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide (CID 1041763) is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide is O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccccc1F.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
The InChIKey is QQGXVAQGFYKEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3OS/c16-10-7-5-9(6-8-10)14-19-20-15(22-14)18-13(21)11-3-1-2-4-12(11)17/h1-8H,(H,18,20,21).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide has a molecular weight of 378.23 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 1041763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).