5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid

C18H17N3O2S — CID 2560413

IUPAC5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C18H17N3O2S/c22-17(23)13-11-14(12-7-3-1-4-8-12)19-16-15(13)24-18(20-16)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,22,23)
InChIKeyVOURJZUOTXNCLL-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.05
Rot. Bonds3

About 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid

5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 2560413) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
PubChem CID2560413
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C18H17N3O2S/c22-17(23)13-11-14(12-7-3-1-4-8-12)19-16-15(13)24-18(20-16)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,22,23)
InChIKeyVOURJZUOTXNCLL-UHFFFAOYSA-N
XLogP4.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-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

5-(3-Chlorophenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
CID 2560357
5-(3,4-Dimethoxyphenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
CID 2560376
5-(4-Methylphenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
CID 4962025
2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid
CID 133053887
Ethyl 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
CID 2416343
Ethyl 2-(diethylamino)-5-phenylthiazolo[4,5-b]pyridine-7-carboxylate
CID 4841154
3-[(2-Methyl-6-phenylthiopheno[3,2-e]pyrimidin-4-yl)amino]benzoic acid
CID 1191481
US20230348450, Example 63
CID 162757077
Ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
CID 4841153
5-(Pyridin-3-yl)-2-(pyrrolidin-1-yl)-(1,3)thiazolo(4,5-b)pyridine-7-carboxylic acid
CID 16227786
2-(2-Methylthieno[2,3-d]pyrimidin-4-yl)benzoicacid
CID 77094655
2-(4-Fluorophenyl)-3-piperidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid
CID 70659658

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid (CID 2560413) is 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12.
What is the InChIKey of 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is VOURJZUOTXNCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(23)13-11-14(12-7-3-1-4-8-12)19-16-15(13)24-18(20-16)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,22,23).
What are the key properties of 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 339.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 2560413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).