3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid

C10H6FN3O3S — CID 55157917

IUPAC3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cnns2)c(F)c1
InChIInChI=1S/C10H6FN3O3S/c11-6-3-5(10(16)17)1-2-7(6)13-9(15)8-4-12-14-18-8/h1-4H,(H,13,15)(H,16,17)
InChIKeyJFNXCFSPBPZTMZ-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.63
Rot. Bonds3

About 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid

3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid (PubChem CID 55157917) has the molecular formula C10H6FN3O3S and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
PubChem CID55157917
Molecular FormulaC10H6FN3O3S
Molecular Weight267.24 g/mol
Exact Mass267.01
IUPAC Name3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cnns2)c(F)c1
InChIInChI=1S/C10H6FN3O3S/c11-6-3-5(10(16)17)1-2-7(6)13-9(15)8-4-12-14-18-8/h1-4H,(H,13,15)(H,16,17)
InChIKeyJFNXCFSPBPZTMZ-UHFFFAOYSA-N
XLogP1.63
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172
3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid
CID 43522632
N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide
CID 103842612
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 115867825
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 79981534
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid
CID 63189912
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63190005

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid?
The IUPAC name of 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid (CID 55157917) is 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid is O=C(O)c1ccc(NC(=O)c2cnns2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid?
The InChIKey is JFNXCFSPBPZTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3S/c11-6-3-5(10(16)17)1-2-7(6)13-9(15)8-4-12-14-18-8/h1-4H,(H,13,15)(H,16,17).
What are the key properties of 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid?
3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid has a molecular weight of 267.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 55157917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).