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

C15H9ClFN3OS — CID 4182317

IUPACN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide
SMILESO=C(Nc1nsc(-c2ccc(Cl)cc2)n1)c1ccccc1F
InChIInChI=1S/C15H9ClFN3OS/c16-10-7-5-9(6-8-10)14-19-15(20-22-14)18-13(21)11-3-1-2-4-12(11)17/h1-8H,(H,18,20,21)
InChIKeyJPUFTLQCLRXHNF-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.25
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide (PubChem CID 4182317) has the molecular formula C15H9ClFN3OS and a molecular weight of 333.78 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide
PubChem CID4182317
Molecular FormulaC15H9ClFN3OS
Molecular Weight333.78 g/mol
Exact Mass333.01
IUPAC NameN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide
SMILESO=C(Nc1nsc(-c2ccc(Cl)cc2)n1)c1ccccc1F
InChIInChI=1S/C15H9ClFN3OS/c16-10-7-5-9(6-8-10)14-19-15(20-22-14)18-13(21)11-3-1-2-4-12(11)17/h1-8H,(H,18,20,21)
InChIKeyJPUFTLQCLRXHNF-UHFFFAOYSA-N
XLogP4.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide 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 N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide (CID 4182317) is N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide is O=C(Nc1nsc(-c2ccc(Cl)cc2)n1)c1ccccc1F.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide?
The InChIKey is JPUFTLQCLRXHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3OS/c16-10-7-5-9(6-8-10)14-19-15(20-22-14)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-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide?
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide has a molecular weight of 333.78 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 4182317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).