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

C23H28N4S — CID 58579706

IUPAC6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1
InChIInChI=1S/C23H28N4S/c1-17-5-7-18(8-6-17)19-15-21-22(24-16-19)25-23(28-21)27-13-9-20(10-14-27)26-11-3-2-4-12-26/h5-8,15-16,20H,2-4,9-14H2,1H3
InChIKeyPJQOPABFQWASEB-UHFFFAOYSA-N
MW392.57 g/mol
LogP5.12
Rot. Bonds3

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

6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 58579706) has the molecular formula C23H28N4S and a molecular weight of 392.57 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID58579706
Molecular FormulaC23H28N4S
Molecular Weight392.57 g/mol
Exact Mass392.20
IUPAC Name6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1
InChIInChI=1S/C23H28N4S/c1-17-5-7-18(8-6-17)19-15-21-22(24-16-19)25-23(28-21)27-13-9-20(10-14-27)26-11-3-2-4-12-26/h5-8,15-16,20H,2-4,9-14H2,1H3
InChIKeyPJQOPABFQWASEB-UHFFFAOYSA-N
XLogP5.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 58579712
4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile
CID 45482708
1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]ethanone
CID 45482714
1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]propan-2-one
CID 58579665
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 160688497
6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 46244011
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide
CID 58579700
2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171
6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 58579675
6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine
CID 46244098
6-(4-ethynylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 58579688

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 58579706) is 6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is PJQOPABFQWASEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4S/c1-17-5-7-18(8-6-17)19-15-21-22(24-16-19)25-23(28-21)27-13-9-20(10-14-27)26-11-3-2-4-12-26/h5-8,15-16,20H,2-4,9-14H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 392.57 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 58579706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).