2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid

C13H8N2O4S — CID 65348957

IUPAC2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccoc3)sc2c1
InChIInChI=1S/C13H8N2O4S/c16-11(8-3-4-19-6-8)15-13-14-9-2-1-7(12(17)18)5-10(9)20-13/h1-6H,(H,17,18)(H,14,15,16)
InChIKeyPMBKKAZPBOGHKZ-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.84
Rot. Bonds3

About 2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid

2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid (PubChem CID 65348957) has the molecular formula C13H8N2O4S and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
PubChem CID65348957
Molecular FormulaC13H8N2O4S
Molecular Weight288.28 g/mol
Exact Mass288.02
IUPAC Name2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccoc3)sc2c1
InChIInChI=1S/C13H8N2O4S/c16-11(8-3-4-19-6-8)15-13-14-9-2-1-7(12(17)18)5-10(9)20-13/h1-6H,(H,17,18)(H,14,15,16)
InChIKeyPMBKKAZPBOGHKZ-UHFFFAOYSA-N
XLogP2.84
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.84
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-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127462
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-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 79812305
2-[(4-methylthiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127667
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 89063864
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
2-[[(2S)-oxolane-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 104855773

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid (CID 65348957) is 2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid is O=C(O)c1ccc2nc(NC(=O)c3ccoc3)sc2c1.
What is the InChIKey of 2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is PMBKKAZPBOGHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4S/c16-11(8-3-4-19-6-8)15-13-14-9-2-1-7(12(17)18)5-10(9)20-13/h1-6H,(H,17,18)(H,14,15,16).
What are the key properties of 2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid?
2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 288.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 65348957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).