4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid

C18H12N4O2S — CID 67521140

IUPAC4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESNc1ncc(-c2ccnc(C(=O)O)c2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C18H12N4O2S/c19-16-12(17-22-13-3-1-2-4-15(13)25-17)7-11(9-21-16)10-5-6-20-14(8-10)18(23)24/h1-9H,(H2,19,21)(H,23,24)
InChIKeyZBGAOGPOFOROKJ-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.70
Rot. Bonds3

About 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid

4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 67521140) has the molecular formula C18H12N4O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid
PubChem CID67521140
Molecular FormulaC18H12N4O2S
Molecular Weight348.39 g/mol
Exact Mass348.07
IUPAC Name4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESNc1ncc(-c2ccnc(C(=O)O)c2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C18H12N4O2S/c19-16-12(17-22-13-3-1-2-4-15(13)25-17)7-11(9-21-16)10-5-6-20-14(8-10)18(23)24/h1-9H,(H2,19,21)(H,23,24)
InChIKeyZBGAOGPOFOROKJ-UHFFFAOYSA-N
XLogP3.70
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-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

[3-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]phenyl]-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 67521234
4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 67520316
2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide
CID 91422349
3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine
CID 67520794
2-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 67520622
2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 67521345
5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine
CID 68784386
3-(1,3-benzothiazol-2-yl)-4-hydroxybenzoic acid
CID 141481149
4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide
CID 143845749
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
4-(2-methylsulfanylphenyl)pyridine-2-carboxylic acid
CID 53223287
2-amino-6-(1,3-benzothiazol-2-yl)phenol
CID 135623123

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid (CID 67521140) is 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid is Nc1ncc(-c2ccnc(C(=O)O)c2)cc1-c1nc2ccccc2s1.
What is the InChIKey of 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is ZBGAOGPOFOROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2S/c19-16-12(17-22-13-3-1-2-4-15(13)25-17)7-11(9-21-16)10-5-6-20-14(8-10)18(23)24/h1-9H,(H2,19,21)(H,23,24).
What are the key properties of 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid?
4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 348.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 67521140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).