2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid

C18H11N3O4S — CID 166127594

IUPAC2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccc4cccc(O)c4n3)sc2c1
InChIInChI=1S/C18H11N3O4S/c22-13-3-1-2-9-4-7-12(19-15(9)13)16(23)21-18-20-11-6-5-10(17(24)25)8-14(11)26-18/h1-8,22H,(H,24,25)(H,20,21,23)
InChIKeyIFILGTXVXICAST-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.50
Rot. Bonds3

About 2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid

2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid (PubChem CID 166127594) has the molecular formula C18H11N3O4S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
PubChem CID166127594
Molecular FormulaC18H11N3O4S
Molecular Weight365.37 g/mol
Exact Mass365.05
IUPAC Name2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccc4cccc(O)c4n3)sc2c1
InChIInChI=1S/C18H11N3O4S/c22-13-3-1-2-9-4-7-12(19-15(9)13)16(23)21-18-20-11-6-5-10(17(24)25)8-14(11)26-18/h1-8,22H,(H,24,25)(H,20,21,23)
InChIKeyIFILGTXVXICAST-UHFFFAOYSA-N
XLogP3.50
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127689
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348957
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-(2,3-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348581
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763

Frequently Asked Questions

What is the IUPAC name of 2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid (CID 166127594) is 2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid is O=C(O)c1ccc2nc(NC(=O)c3ccc4cccc(O)c4n3)sc2c1.
What is the InChIKey of 2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is IFILGTXVXICAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O4S/c22-13-3-1-2-9-4-7-12(19-15(9)13)16(23)21-18-20-11-6-5-10(17(24)25)8-14(11)26-18/h1-8,22H,(H,24,25)(H,20,21,23).
What are the key properties of 2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 365.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 166127594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).