2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid

C11H8FN3O3S — CID 54926713

IUPAC2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
SMILESCc1nnsc1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C11H8FN3O3S/c1-5-9(19-15-14-5)10(16)13-6-2-3-8(12)7(4-6)11(17)18/h2-4H,1H3,(H,13,16)(H,17,18)
InChIKeyVQGBKEJPQZVVOJ-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.94
Rot. Bonds3

About 2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid

2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid (PubChem CID 54926713) has the molecular formula C11H8FN3O3S and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
PubChem CID54926713
Molecular FormulaC11H8FN3O3S
Molecular Weight281.27 g/mol
Exact Mass281.03
IUPAC Name2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
SMILESCc1nnsc1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C11H8FN3O3S/c1-5-9(19-15-14-5)10(16)13-6-2-3-8(12)7(4-6)11(17)18/h2-4H,1H3,(H,13,16)(H,17,18)
InChIKeyVQGBKEJPQZVVOJ-UHFFFAOYSA-N
XLogP1.94
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 65432952
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
CID 9087191
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779
N-(3-carbamothioyl-4-fluorophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204324
5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145
3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 43331475
4-bromo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54933005
2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 60825323

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid (CID 54926713) is 2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid is Cc1nnsc1C(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid?
The InChIKey is VQGBKEJPQZVVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3S/c1-5-9(19-15-14-5)10(16)13-6-2-3-8(12)7(4-6)11(17)18/h2-4H,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid?
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid has a molecular weight of 281.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 54926713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).