2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid

C14H7F3N2O4S — CID 166127462

IUPAC2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccoc3C(F)(F)F)sc2c1
InChIInChI=1S/C14H7F3N2O4S/c15-14(16,17)10-7(3-4-23-10)11(20)19-13-18-8-2-1-6(12(21)22)5-9(8)24-13/h1-5H,(H,21,22)(H,18,19,20)
InChIKeyLTYNDHIAXOKDTK-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.86
Rot. Bonds3

About 2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid

2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid (PubChem CID 166127462) has the molecular formula C14H7F3N2O4S and a molecular weight of 356.28 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
PubChem CID166127462
Molecular FormulaC14H7F3N2O4S
Molecular Weight356.28 g/mol
Exact Mass356.01
IUPAC Name2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccoc3C(F)(F)F)sc2c1
InChIInChI=1S/C14H7F3N2O4S/c15-14(16,17)10-7(3-4-23-10)11(20)19-13-18-8-2-1-6(12(21)22)5-9(8)24-13/h1-5H,(H,21,22)(H,18,19,20)
InChIKeyLTYNDHIAXOKDTK-UHFFFAOYSA-N
XLogP3.86
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348957
2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 79812305
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-[[3-nitro-5-(trifluoromethyl)benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127485
2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127706
2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348770
2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 79154501
2-[(4-methylthiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127667
2-(2,3-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348581
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
2-[(3,4-dibromocyclopenta-1,3-diene-1-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 159516008

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid (CID 166127462) is 2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid is O=C(O)c1ccc2nc(NC(=O)c3ccoc3C(F)(F)F)sc2c1.
What is the InChIKey of 2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is LTYNDHIAXOKDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O4S/c15-14(16,17)10-7(3-4-23-10)11(20)19-13-18-8-2-1-6(12(21)22)5-9(8)24-13/h1-5H,(H,21,22)(H,18,19,20).
What are the key properties of 2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 356.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 166127462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).