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

C20H22N4O3S — CID 57448273

IUPAC1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C20H22N4O3S/c21-18(25)14-7-10-24(11-8-14)12-13-26-15-3-5-16(6-4-15)27-20-23-19-17(28-20)2-1-9-22-19/h1-6,9,14H,7-8,10-13H2,(H2,21,25)
InChIKeyFLPSMGMQYQHPLM-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.06
Rot. Bonds7

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

1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide (PubChem CID 57448273) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide
PubChem CID57448273
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C20H22N4O3S/c21-18(25)14-7-10-24(11-8-14)12-13-26-15-3-5-16(6-4-15)27-20-23-19-17(28-20)2-1-9-22-19/h1-6,9,14H,7-8,10-13H2,(H2,21,25)
InChIKeyFLPSMGMQYQHPLM-UHFFFAOYSA-N
XLogP3.06
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[2-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 44481584
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
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
1-[2-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide
CID 57448281
1-[[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 57448284
2-[4-(2-Piperidin-1-ylethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57448332
2-[4-(2-Piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57448356
1-(4-(5-(3-Phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone
CID 57742634
2-Methyl-1-[4-[5-[(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 66994526
1-[5-[2-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 67204288

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide (CID 57448273) is 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1.
What is the InChIKey of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide?
The InChIKey is FLPSMGMQYQHPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c21-18(25)14-7-10-24(11-8-14)12-13-26-15-3-5-16(6-4-15)27-20-23-19-17(28-20)2-1-9-22-19/h1-6,9,14H,7-8,10-13H2,(H2,21,25).
What are the key properties of 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide?
1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 57448273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).