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

C22H27N5OS — CID 45482694

IUPAC6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESCOc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1
InChIInChI=1S/C22H27N5OS/c1-28-21-6-5-16(14-24-21)18-13-20-19(15-23-18)25-22(29-20)27-11-7-17(8-12-27)26-9-3-2-4-10-26/h5-6,13-15,17H,2-4,7-12H2,1H3
InChIKeyKEGOYMJCBYDQGI-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.22
Rot. Bonds4

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

6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 45482694) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID45482694
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESCOc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1
InChIInChI=1S/C22H27N5OS/c1-28-21-6-5-16(14-24-21)18-13-20-19(15-23-18)25-22(29-20)27-11-7-17(8-12-27)26-9-3-2-4-10-26/h5-6,13-15,17H,2-4,7-12H2,1H3
InChIKeyKEGOYMJCBYDQGI-UHFFFAOYSA-N
XLogP4.22
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (CID 45482694) is 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is COc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is KEGOYMJCBYDQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-28-21-6-5-16(14-24-21)18-13-20-19(15-23-18)25-22(29-20)27-11-7-17(8-12-27)26-9-3-2-4-10-26/h5-6,13-15,17H,2-4,7-12H2,1H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 409.56 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 45482694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).