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

C18H17N3O4S — CID 166127482

IUPAC2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
SMILESCC(C)COc1ccc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)cn1
InChIInChI=1S/C18H17N3O4S/c1-10(2)9-25-15-6-4-12(8-19-15)16(22)21-18-20-13-5-3-11(17(23)24)7-14(13)26-18/h3-8,10H,9H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyLBLYWWUQXAGDAB-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.68
Rot. Bonds6

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

2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid (PubChem CID 166127482) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
PubChem CID166127482
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
SMILESCC(C)COc1ccc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)cn1
InChIInChI=1S/C18H17N3O4S/c1-10(2)9-25-15-6-4-12(8-19-15)16(22)21-18-20-13-5-3-11(17(23)24)7-14(13)26-18/h3-8,10H,9H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyLBLYWWUQXAGDAB-UHFFFAOYSA-N
XLogP3.68
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid with MolForge

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Related Compounds

2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127480
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
2-(4-methylpentanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348587
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127706
2-(2,3-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348581
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-6-ethoxypyridine-3-carboxamide
CID 47047868
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
CID 4505881
2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127689
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-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid (CID 166127482) is 2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid is CC(C)COc1ccc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)cn1.
What is the InChIKey of 2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is LBLYWWUQXAGDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-10(2)9-25-15-6-4-12(8-19-15)16(22)21-18-20-13-5-3-11(17(23)24)7-14(13)26-18/h3-8,10H,9H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 371.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 166127482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).