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

C18H15N3O4S — CID 166127480

IUPAC2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccc(OCC4CC4)nc3)sc2c1
InChIInChI=1S/C18H15N3O4S/c22-16(12-4-6-15(19-8-12)25-9-10-1-2-10)21-18-20-13-5-3-11(17(23)24)7-14(13)26-18/h3-8,10H,1-2,9H2,(H,23,24)(H,20,21,22)
InChIKeyUNCQISNYTUEEEK-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.43
Rot. Bonds6

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

2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid (PubChem CID 166127480) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
PubChem CID166127480
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccc(OCC4CC4)nc3)sc2c1
InChIInChI=1S/C18H15N3O4S/c22-16(12-4-6-15(19-8-12)25-9-10-1-2-10)21-18-20-13-5-3-11(17(23)24)7-14(13)26-18/h3-8,10H,1-2,9H2,(H,23,24)(H,20,21,22)
InChIKeyUNCQISNYTUEEEK-UHFFFAOYSA-N
XLogP3.43
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127482
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
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-6-ethoxypyridine-3-carboxamide
CID 47047868
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127706
2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
CID 4159999
2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348957
methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 121017376
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348770

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid (CID 166127480) is 2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid is O=C(O)c1ccc2nc(NC(=O)c3ccc(OCC4CC4)nc3)sc2c1.
What is the InChIKey of 2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is UNCQISNYTUEEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-16(12-4-6-15(19-8-12)25-9-10-1-2-10)21-18-20-13-5-3-11(17(23)24)7-14(13)26-18/h3-8,10H,1-2,9H2,(H,23,24)(H,20,21,22).
What are the key properties of 2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid?
2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 369.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 166127480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).