2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid

C10H7FN2O2S2 — CID 107119910

IUPAC2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid
SMILESO=C(O)c1cccc(CSc2ncns2)c1F
InChIInChI=1S/C10H7FN2O2S2/c11-8-6(2-1-3-7(8)9(14)15)4-16-10-12-5-13-17-10/h1-3,5H,4H2,(H,14,15)
InChIKeyHOJYPILQJXEPDU-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.67
Rot. Bonds4

About 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid

2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid (PubChem CID 107119910) has the molecular formula C10H7FN2O2S2 and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid
PubChem CID107119910
Molecular FormulaC10H7FN2O2S2
Molecular Weight270.31 g/mol
Exact Mass269.99
IUPAC Name2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid
SMILESO=C(O)c1cccc(CSc2ncns2)c1F
InChIInChI=1S/C10H7FN2O2S2/c11-8-6(2-1-3-7(8)9(14)15)4-16-10-12-5-13-17-10/h1-3,5H,4H2,(H,14,15)
InChIKeyHOJYPILQJXEPDU-UHFFFAOYSA-N
XLogP2.67
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid 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

3-(ethylsulfanylmethyl)-2-fluorobenzoic acid
CID 107119816
2-fluoro-3-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 107119917
3-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-fluorobenzoic acid
CID 107119895
2-fluoro-3-(hydroxymethyl)benzoic acid
CID 2774489
2-fluoro-3-(3-hydroxypropylsulfanylmethyl)benzoic acid
CID 107119900
3-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2-fluorobenzoic acid
CID 107119844
3-(2-bromoethyl)-2-fluorobenzoic acid
CID 174686593
2-fluoro-3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
CID 107119871
2-[(2-fluorophenyl)methylsulfanyl]benzoic acid
CID 2462926
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323
6-[(2,3-difluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 61304812
3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid?
The IUPAC name of 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid (CID 107119910) is 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid?
The canonical SMILES for 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid is O=C(O)c1cccc(CSc2ncns2)c1F.
What is the InChIKey of 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid?
The InChIKey is HOJYPILQJXEPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S2/c11-8-6(2-1-3-7(8)9(14)15)4-16-10-12-5-13-17-10/h1-3,5H,4H2,(H,14,15).
What are the key properties of 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid?
2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid has a molecular weight of 270.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzoic acid is sourced from PubChem (CID 107119910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).