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

C19H19N3O2S — CID 4962025

IUPAC5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3sc(N4CCCCC4)nc3n2)cc1
InChIInChI=1S/C19H19N3O2S/c1-12-5-7-13(8-6-12)15-11-14(18(23)24)16-17(20-15)21-19(25-16)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,23,24)
InChIKeyAZLNHYOVLUPYEJ-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.36
Rot. Bonds3

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

5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 4962025) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
PubChem CID4962025
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3sc(N4CCCCC4)nc3n2)cc1
InChIInChI=1S/C19H19N3O2S/c1-12-5-7-13(8-6-12)15-11-14(18(23)24)16-17(20-15)21-19(25-16)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,23,24)
InChIKeyAZLNHYOVLUPYEJ-UHFFFAOYSA-N
XLogP4.36
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid (CID 4962025) is 5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3sc(N4CCCCC4)nc3n2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is AZLNHYOVLUPYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-5-7-13(8-6-12)15-11-14(18(23)24)16-17(20-15)21-19(25-16)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,23,24).
What are the key properties of 5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 353.45 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 4962025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).