2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid

C11H6F3N3O3S — CID 66269359

IUPAC2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid
SMILESO=C(Nc1ccc(C(F)(F)F)cc1C(=O)O)c1cnns1
InChIInChI=1S/C11H6F3N3O3S/c12-11(13,14)5-1-2-7(6(3-5)10(19)20)16-9(18)8-4-15-17-21-8/h1-4H,(H,16,18)(H,19,20)
InChIKeyZFGUSUVMNIEENP-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.51
Rot. Bonds3

About 2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid

2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid (PubChem CID 66269359) has the molecular formula C11H6F3N3O3S and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid
PubChem CID66269359
Molecular FormulaC11H6F3N3O3S
Molecular Weight317.25 g/mol
Exact Mass317.01
IUPAC Name2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid
SMILESO=C(Nc1ccc(C(F)(F)F)cc1C(=O)O)c1cnns1
InChIInChI=1S/C11H6F3N3O3S/c12-11(13,14)5-1-2-7(6(3-5)10(19)20)16-9(18)8-4-15-17-21-8/h1-4H,(H,16,18)(H,19,20)
InChIKeyZFGUSUVMNIEENP-UHFFFAOYSA-N
XLogP2.51
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid
CID 43522632
3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
CID 55157917
2-(2H-triazole-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66270274
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814
2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269172
2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid
CID 66270672
2-(2-methylpropanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66270088
2-(azetidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22143302
N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
2-(3-methylbutanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269531
N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47061239
2-(propylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269363

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid (CID 66269359) is 2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid is O=C(Nc1ccc(C(F)(F)F)cc1C(=O)O)c1cnns1.
What is the InChIKey of 2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid?
The InChIKey is ZFGUSUVMNIEENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O3S/c12-11(13,14)5-1-2-7(6(3-5)10(19)20)16-9(18)8-4-15-17-21-8/h1-4H,(H,16,18)(H,19,20).
What are the key properties of 2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid?
2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid has a molecular weight of 317.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 66269359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).