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

C22H28N4O2S — CID 146285107

IUPAC5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1cc(OCC2CCCN(C(C)c3ccc4sc(C)nc4n3)C2)cc(C)n1
InChIInChI=1S/C22H28N4O2S/c1-14-10-18(11-21(23-14)27-4)28-13-17-6-5-9-26(12-17)15(2)19-7-8-20-22(25-19)24-16(3)29-20/h7-8,10-11,15,17H,5-6,9,12-13H2,1-4H3
InChIKeyAOGGXSJSSATXTP-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.56
Rot. Bonds6

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

5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 146285107) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID146285107
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1cc(OCC2CCCN(C(C)c3ccc4sc(C)nc4n3)C2)cc(C)n1
InChIInChI=1S/C22H28N4O2S/c1-14-10-18(11-21(23-14)27-4)28-13-17-6-5-9-26(12-17)15(2)19-7-8-20-22(25-19)24-16(3)29-20/h7-8,10-11,15,17H,5-6,9,12-13H2,1-4H3
InChIKeyAOGGXSJSSATXTP-UHFFFAOYSA-N
XLogP4.56
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146285127
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-[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
N-[[(3S)-1-[(1R)-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;N-[[(3S)-1-[(1S)-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;N-[[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;sulfane
CID 160878735
6-fluoro-5-[1-[4-(2-methoxy-6-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 156524198
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
5-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-1,3-benzoxazole
CID 146285023
5-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-1,3-benzoxazole
CID 146284868

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 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) is 5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is COc1cc(OCC2CCCN(C(C)c3ccc4sc(C)nc4n3)C2)cc(C)n1.
What is the InChIKey of 5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is AOGGXSJSSATXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-14-10-18(11-21(23-14)27-4)28-13-17-6-5-9-26(12-17)15(2)19-7-8-20-22(25-19)24-16(3)29-20/h7-8,10-11,15,17H,5-6,9,12-13H2,1-4H3.
What are the key properties of 5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 412.56 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 146285107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).