2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid

C11H11N3O3S — CID 79154501

IUPAC2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid
SMILESCN(C)C(=O)Nc1nc2ccc(C(=O)O)cc2s1
InChIInChI=1S/C11H11N3O3S/c1-14(2)11(17)13-10-12-7-4-3-6(9(15)16)5-8(7)18-10/h3-5H,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyHWXRJBMXXCKKDC-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.09
Rot. Bonds2

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

2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid (PubChem CID 79154501) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid
PubChem CID79154501
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid
SMILESCN(C)C(=O)Nc1nc2ccc(C(=O)O)cc2s1
InChIInChI=1S/C11H11N3O3S/c1-14(2)11(17)13-10-12-7-4-3-6(9(15)16)5-8(7)18-10/h3-5H,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyHWXRJBMXXCKKDC-UHFFFAOYSA-N
XLogP2.09
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
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-(4-methylpentanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348587
2-[(4-methylthiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127667
2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 79812305
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-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 89063864
2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127689

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid (CID 79154501) is 2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid is CN(C)C(=O)Nc1nc2ccc(C(=O)O)cc2s1.
What is the InChIKey of 2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is HWXRJBMXXCKKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-14(2)11(17)13-10-12-7-4-3-6(9(15)16)5-8(7)18-10/h3-5H,1-2H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid?
2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 79154501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).