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

C9H6FN3O2S — CID 107793344

IUPAC2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2ncns2)cc1F
InChIInChI=1S/C9H6FN3O2S/c10-7-3-5(1-2-6(7)8(14)15)13-9-11-4-12-16-9/h1-4H,(H,14,15)(H,11,12,13)
InChIKeyXIOSEJNAXMKZJV-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.12
Rot. Bonds3

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

2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid (PubChem CID 107793344) has the molecular formula C9H6FN3O2S and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid
PubChem CID107793344
Molecular FormulaC9H6FN3O2S
Molecular Weight239.23 g/mol
Exact Mass239.02
IUPAC Name2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2ncns2)cc1F
InChIInChI=1S/C9H6FN3O2S/c10-7-3-5(1-2-6(7)8(14)15)13-9-11-4-12-16-9/h1-4H,(H,14,15)(H,11,12,13)
InChIKeyXIOSEJNAXMKZJV-UHFFFAOYSA-N
XLogP2.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)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

2-chloro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid
CID 65270142
2-fluoro-4-(hydroxyamino)benzoic acid
CID 142889242
4-[(4,6-dimethylpyrimidin-2-yl)amino]-2-fluorobenzoic acid
CID 114002149
2-fluoro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid
CID 107793526
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid
CID 107793480
2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid
CID 107793542
2-fluoro-4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]benzoic acid
CID 107793250
2-fluoro-4-[(5-nitropyrimidin-2-yl)amino]benzoic acid
CID 107793335
2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid
CID 107793274
2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 107793354
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-fluorobenzoic acid
CID 107793322
4-(tert-butylamino)-2-fluorobenzoic acid
CID 66789371

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid?
The IUPAC name of 2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid (CID 107793344) is 2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid?
The canonical SMILES for 2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid is O=C(O)c1ccc(Nc2ncns2)cc1F.
What is the InChIKey of 2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid?
The InChIKey is XIOSEJNAXMKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2S/c10-7-3-5(1-2-6(7)8(14)15)13-9-11-4-12-16-9/h1-4H,(H,14,15)(H,11,12,13).
What are the key properties of 2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid?
2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid has a molecular weight of 239.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid is sourced from PubChem (CID 107793344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).