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

C9H6FN3OS — CID 838740

IUPAC2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1F
InChIInChI=1S/C9H6FN3OS/c10-7-4-2-1-3-6(7)8(14)12-9-13-11-5-15-9/h1-5H,(H,12,13,14)
InChIKeyPVIJYXUXYUQGKX-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.93
Rot. Bonds2

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

2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 838740) has the molecular formula C9H6FN3OS and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID838740
Molecular FormulaC9H6FN3OS
Molecular Weight223.23 g/mol
Exact Mass223.02
IUPAC Name2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1F
InChIInChI=1S/C9H6FN3OS/c10-7-4-2-1-3-6(7)8(14)12-9-13-11-5-15-9/h1-5H,(H,12,13,14)
InChIKeyPVIJYXUXYUQGKX-UHFFFAOYSA-N
XLogP1.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-(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

N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 953455
N-(5-Sulfamoyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 394898
Bcr-abl Inhibitor II
CID 3320547
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 803498
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 7095467
N-(1,3,4-Thiadiazol-2-yl)benzamide
CID 569548
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 685639
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 871615
4-fluoro-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 900462
N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 953429
2-(1,3,4-Thiadiazol-2-yl)-1,2-benzoselenazol-3-one
CID 85906819

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 838740) is 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PVIJYXUXYUQGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3OS/c10-7-4-2-1-3-6(7)8(14)12-9-13-11-5-15-9/h1-5H,(H,12,13,14).
What are the key properties of 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 223.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 838740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).