5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid

C9H5F3N4O2S — CID 175717024

IUPAC5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1Nc1cncc(C(F)(F)F)c1
InChIInChI=1S/C9H5F3N4O2S/c10-9(11,12)4-1-5(3-13-2-4)14-7-6(8(17)18)15-16-19-7/h1-3,14H,(H,17,18)
InChIKeyAMGXYFLNQKIGAN-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.39
Rot. Bonds3

About 5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid

5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid (PubChem CID 175717024) has the molecular formula C9H5F3N4O2S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid
PubChem CID175717024
Molecular FormulaC9H5F3N4O2S
Molecular Weight290.23 g/mol
Exact Mass290.01
IUPAC Name5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1Nc1cncc(C(F)(F)F)c1
InChIInChI=1S/C9H5F3N4O2S/c10-9(11,12)4-1-5(3-13-2-4)14-7-6(8(17)18)15-16-19-7/h1-3,14H,(H,17,18)
InChIKeyAMGXYFLNQKIGAN-UHFFFAOYSA-N
XLogP2.39
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid
CID 171343423
N-(4-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
CID 164811151
N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
CID 164811168
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine
CID 21221267
N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 165092375
4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135153514
2-hydroxy-1-[5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one
CID 174382353
1-[5-[(5-tert-butyl-3-pyridinyl)amino]-3-oxo-1,2-thiazol-4-yl]-3-methylurea
CID 58712371
4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine
CID 151488630
5-(2,6-difluoroanilino)pyridine-3-carboxylic acid
CID 82535068

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid?
The IUPAC name of 5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid (CID 175717024) is 5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid is O=C(O)c1nnsc1Nc1cncc(C(F)(F)F)c1.
What is the InChIKey of 5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid?
The InChIKey is AMGXYFLNQKIGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4O2S/c10-9(11,12)4-1-5(3-13-2-4)14-7-6(8(17)18)15-16-19-7/h1-3,14H,(H,17,18).
What are the key properties of 5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid?
5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid has a molecular weight of 290.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid is sourced from PubChem (CID 175717024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).