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

C18H16ClN3O2S — CID 2560357

IUPAC5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C18H16ClN3O2S/c19-12-6-4-5-11(9-12)14-10-13(17(23)24)15-16(20-14)21-18(25-15)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8H2,(H,23,24)
InChIKeyNQUARGOVHABFHH-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.70
Rot. Bonds3

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

5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 2560357) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
PubChem CID2560357
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C18H16ClN3O2S/c19-12-6-4-5-11(9-12)14-10-13(17(23)24)15-16(20-14)21-18(25-15)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8H2,(H,23,24)
InChIKeyNQUARGOVHABFHH-UHFFFAOYSA-N
XLogP4.70
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-chlorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid (CID 2560357) is 5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2)nc2nc(N3CCCCC3)sc12.
What is the InChIKey of 5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is NQUARGOVHABFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-12-6-4-5-11(9-12)14-10-13(17(23)24)15-16(20-14)21-18(25-15)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8H2,(H,23,24).
What are the key properties of 5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 373.87 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 2560357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).