6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine

C21H24FN5S — CID 45482756

IUPAC6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESFc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1
InChIInChI=1S/C21H24FN5S/c22-20-5-4-15(13-24-20)17-12-19-18(14-23-17)25-21(28-19)27-10-6-16(7-11-27)26-8-2-1-3-9-26/h4-5,12-14,16H,1-3,6-11H2
InChIKeyQINCTGKEJQBZLN-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.35
Rot. Bonds3

About 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine

6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 45482756) has the molecular formula C21H24FN5S and a molecular weight of 397.52 g/mol. Its IUPAC name is 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID45482756
Molecular FormulaC21H24FN5S
Molecular Weight397.52 g/mol
Exact Mass397.17
IUPAC Name6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESFc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1
InChIInChI=1S/C21H24FN5S/c22-20-5-4-15(13-24-20)17-12-19-18(14-23-17)25-21(28-19)27-10-6-16(7-11-27)26-8-2-1-3-9-26/h4-5,12-14,16H,1-3,6-11H2
InChIKeyQINCTGKEJQBZLN-UHFFFAOYSA-N
XLogP4.35
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine 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 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (CID 45482756) is 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is Fc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1.
What is the InChIKey of 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is QINCTGKEJQBZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5S/c22-20-5-4-15(13-24-20)17-12-19-18(14-23-17)25-21(28-19)27-10-6-16(7-11-27)26-8-2-1-3-9-26/h4-5,12-14,16H,1-3,6-11H2.
What are the key properties of 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 397.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 45482756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).