1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide

C20H22N4O2S — CID 57448281

IUPAC1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C20H22N4O2S/c21-18(25)15-8-12-24(13-9-15)11-7-14-3-5-16(6-4-14)26-20-23-19-17(27-20)2-1-10-22-19/h1-6,10,15H,7-9,11-13H2,(H2,21,25)
InChIKeyPQEJDGLTRPZMQD-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.22
Rot. Bonds6

About 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide

1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 57448281) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID57448281
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C20H22N4O2S/c21-18(25)15-8-12-24(13-9-15)11-7-14-3-5-16(6-4-14)26-20-23-19-17(27-20)2-1-10-22-19/h1-6,10,15H,7-9,11-13H2,(H2,21,25)
InChIKeyPQEJDGLTRPZMQD-UHFFFAOYSA-N
XLogP3.22
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, N-((3-endo)-8-((4-(thiazolo(4,5-b)pyridin-2-yloxy)phenyl)methyl)-8-azabicyclo(3.2.1)oct-3-yl)-
CID 57910975
N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 71456055
N-[8-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 71457850
2-(4-methoxyphenyl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 44454941
1-[2-[[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 44479549
7-Methyl-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44481057
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44481856
1-[1-[[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 44481857
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methoxypyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482775
1-[2-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide
CID 57448273
1-[1-[2-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 57448274
1-[1-[2-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 57448276

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide (CID 57448281) is 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1.
What is the InChIKey of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is PQEJDGLTRPZMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c21-18(25)15-8-12-24(13-9-15)11-7-14-3-5-16(6-4-14)26-20-23-19-17(27-20)2-1-10-22-19/h1-6,10,15H,7-9,11-13H2,(H2,21,25).
What are the key properties of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide?
1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 57448281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).