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

C15H11N3O4S — CID 166127689

IUPAC2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cccc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)n1
InChIInChI=1S/C15H11N3O4S/c1-22-12-4-2-3-10(16-12)13(19)18-15-17-9-6-5-8(14(20)21)7-11(9)23-15/h2-7H,1H3,(H,20,21)(H,17,18,19)
InChIKeyCWWPYMDIQZBRCZ-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.65
Rot. Bonds4

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

2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid (PubChem CID 166127689) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
PubChem CID166127689
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cccc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)n1
InChIInChI=1S/C15H11N3O4S/c1-22-12-4-2-3-10(16-12)13(19)18-15-17-9-6-5-8(14(20)21)7-11(9)23-15/h2-7H,1H3,(H,20,21)(H,17,18,19)
InChIKeyCWWPYMDIQZBRCZ-UHFFFAOYSA-N
XLogP2.65
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127706
2-[(8-hydroxyquinoline-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127594
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 79154501
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
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-(2,3-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348581
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 89063864

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid (CID 166127689) is 2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid is COc1cccc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)n1.
What is the InChIKey of 2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is CWWPYMDIQZBRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c1-22-12-4-2-3-10(16-12)13(19)18-15-17-9-6-5-8(14(20)21)7-11(9)23-15/h2-7H,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 329.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 166127689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).