4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol

C22H26N4OS — CID 45482744

IUPAC4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol
SMILESOc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1
InChIInChI=1S/C22H26N4OS/c27-19-6-4-16(5-7-19)17-14-20-21(23-15-17)24-22(28-20)26-12-8-18(9-13-26)25-10-2-1-3-11-25/h4-7,14-15,18,27H,1-3,8-13H2
InChIKeyPSVXRLREKMJAQO-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.52
Rot. Bonds3

About 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol

4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol (PubChem CID 45482744) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol
PubChem CID45482744
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol
SMILESOc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1
InChIInChI=1S/C22H26N4OS/c27-19-6-4-16(5-7-19)17-14-20-21(23-15-17)24-22(28-20)26-12-8-18(9-13-26)25-10-2-1-3-11-25/h4-7,14-15,18,27H,1-3,8-13H2
InChIKeyPSVXRLREKMJAQO-UHFFFAOYSA-N
XLogP4.52
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol?
The IUPAC name of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol (CID 45482744) is 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol.
What is the SMILES notation for 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol?
The canonical SMILES for 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol is Oc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1.
What is the InChIKey of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol?
The InChIKey is PSVXRLREKMJAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c27-19-6-4-16(5-7-19)17-14-20-21(23-15-17)24-22(28-20)26-12-8-18(9-13-26)25-10-2-1-3-11-25/h4-7,14-15,18,27H,1-3,8-13H2.
What are the key properties of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol?
4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol has a molecular weight of 394.54 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol is sourced from PubChem (CID 45482744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).