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

C22H25FN4S — CID 46245061

IUPAC6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESFc1ccccc1-c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C22H25FN4S/c23-18-7-3-2-6-17(18)19-14-21-20(15-24-19)25-22(28-21)27-12-8-16(9-13-27)26-10-4-1-5-11-26/h2-3,6-7,14-16H,1,4-5,8-13H2
InChIKeyWIJKCMQIPQQATG-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.95
Rot. Bonds3

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

6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 46245061) has the molecular formula C22H25FN4S and a molecular weight of 396.54 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID46245061
Molecular FormulaC22H25FN4S
Molecular Weight396.54 g/mol
Exact Mass396.18
IUPAC Name6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESFc1ccccc1-c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C22H25FN4S/c23-18-7-3-2-6-17(18)19-14-21-20(15-24-19)25-22(28-21)27-12-8-16(9-13-27)26-10-4-1-5-11-26/h2-3,6-7,14-16H,1,4-5,8-13H2
InChIKeyWIJKCMQIPQQATG-UHFFFAOYSA-N
XLogP4.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (CID 46245061) is 6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is Fc1ccccc1-c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.
What is the InChIKey of 6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is WIJKCMQIPQQATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4S/c23-18-7-3-2-6-17(18)19-14-21-20(15-24-19)25-22(28-21)27-12-8-16(9-13-27)26-10-4-1-5-11-26/h2-3,6-7,14-16H,1,4-5,8-13H2.
What are the key properties of 6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 396.54 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 46245061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).