5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine

C22H28N4OS — CID 146285127

IUPAC5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cc(COC2CCCN(C(C)c3ccc4sc(C)nc4n3)C2)cc(C)n1
InChIInChI=1S/C22H28N4OS/c1-14-10-18(11-15(2)23-14)13-27-19-6-5-9-26(12-19)16(3)20-7-8-21-22(25-20)24-17(4)28-21/h7-8,10-11,16,19H,5-6,9,12-13H2,1-4H3
InChIKeyVASWOBYKQIGNGP-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.75
Rot. Bonds5

About 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine

5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 146285127) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID146285127
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Name5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cc(COC2CCCN(C(C)c3ccc4sc(C)nc4n3)C2)cc(C)n1
InChIInChI=1S/C22H28N4OS/c1-14-10-18(11-15(2)23-14)13-27-19-6-5-9-26(12-19)16(3)20-7-8-21-22(25-20)24-17(4)28-21/h7-8,10-11,16,19H,5-6,9,12-13H2,1-4H3
InChIKeyVASWOBYKQIGNGP-UHFFFAOYSA-N
XLogP4.75
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine with MolForge

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Related Compounds

5-[(1S)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine;methane;sulfane
CID 159275795
5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146285034
[(3S)-1-[1-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-5-yl)ethyl]piperidin-3-yl]methanol
CID 146285035
5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146285107
6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 153376532
5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpiperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146284939
6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162468296
5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-benzothiazole
CID 135135234
6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286208
4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146288313
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751
4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287985

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 146285127) is 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is Cc1cc(COC2CCCN(C(C)c3ccc4sc(C)nc4n3)C2)cc(C)n1.
What is the InChIKey of 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is VASWOBYKQIGNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-14-10-18(11-15(2)23-14)13-27-19-6-5-9-26(12-19)16(3)20-7-8-21-22(25-20)24-17(4)28-21/h7-8,10-11,16,19H,5-6,9,12-13H2,1-4H3.
What are the key properties of 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 396.56 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 146285127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).