2-benzamido-1,3-benzothiazole-6-carboxylic acid

C15H10N2O3S — CID 19622650

IUPAC2-benzamido-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C15H10N2O3S/c18-13(9-4-2-1-3-5-9)17-15-16-11-7-6-10(14(19)20)8-12(11)21-15/h1-8H,(H,19,20)(H,16,17,18)
InChIKeyREHLLTKTXBWDMD-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.25
Rot. Bonds3

About 2-benzamido-1,3-benzothiazole-6-carboxylic acid

2-benzamido-1,3-benzothiazole-6-carboxylic acid (PubChem CID 19622650) has the molecular formula C15H10N2O3S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-benzamido-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-benzamido-1,3-benzothiazole-6-carboxylic acid
PubChem CID19622650
Molecular FormulaC15H10N2O3S
Molecular Weight298.32 g/mol
Exact Mass298.04
IUPAC Name2-benzamido-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C15H10N2O3S/c18-13(9-4-2-1-3-5-9)17-15-16-11-7-6-10(14(19)20)8-12(11)21-15/h1-8H,(H,19,20)(H,16,17,18)
InChIKeyREHLLTKTXBWDMD-UHFFFAOYSA-N
XLogP3.25
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348957
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348770
2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
CID 4159999
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 89063864
4-benzoyl-N-(6-nitroso-1,3-benzothiazol-2-yl)benzamide
CID 143038300
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide
CID 25259294
2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 79154501
(2-benzamido-1,3-benzothiazol-6-yl) benzoate
CID 86658020
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 79812305

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-benzamido-1,3-benzothiazole-6-carboxylic acid (CID 19622650) is 2-benzamido-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-benzamido-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-benzamido-1,3-benzothiazole-6-carboxylic acid is O=C(O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of 2-benzamido-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is REHLLTKTXBWDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S/c18-13(9-4-2-1-3-5-9)17-15-16-11-7-6-10(14(19)20)8-12(11)21-15/h1-8H,(H,19,20)(H,16,17,18).
What are the key properties of 2-benzamido-1,3-benzothiazole-6-carboxylic acid?
2-benzamido-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 19622650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).