4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde

C13H8N2O2S — CID 57448384

IUPAC4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde
SMILESO=Cc1ccc(Oc2nc3ncccc3s2)cc1
InChIInChI=1S/C13H8N2O2S/c16-8-9-3-5-10(6-4-9)17-13-15-12-11(18-13)2-1-7-14-12/h1-8H
InChIKeyMIXDMADWNWRCQX-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.30
Rot. Bonds3

About 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde

4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde (PubChem CID 57448384) has the molecular formula C13H8N2O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde
PubChem CID57448384
Molecular FormulaC13H8N2O2S
Molecular Weight256.29 g/mol
Exact Mass256.03
IUPAC Name4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde
SMILESO=Cc1ccc(Oc2nc3ncccc3s2)cc1
InChIInChI=1S/C13H8N2O2S/c16-8-9-3-5-10(6-4-9)17-13-15-12-11(18-13)2-1-7-14-12/h1-8H
InChIKeyMIXDMADWNWRCQX-UHFFFAOYSA-N
XLogP3.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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-[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-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57448356
(4-Amino-2-(pyridin-2-ylamino)thiazol-5-yl)(4-methoxyphenyl)methanone
CID 54582364
4-[[2-(4-Methoxyphenyl)ethyl-([1,3]thiazolo[4,5-b]pyridin-2-yl)amino]methyl]benzoic acid
CID 164628588
4-(2-Pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde
CID 10659387
2-[4-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44482131
2-[4-[(3,3-Difluoropyrrolidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57448349
2-[4-[(4-Fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57448360
2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57464042

Frequently Asked Questions

What is the IUPAC name of 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde?
The IUPAC name of 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde (CID 57448384) is 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde.
What is the SMILES notation for 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde?
The canonical SMILES for 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde is O=Cc1ccc(Oc2nc3ncccc3s2)cc1.
What is the InChIKey of 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde?
The InChIKey is MIXDMADWNWRCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S/c16-8-9-3-5-10(6-4-9)17-13-15-12-11(18-13)2-1-7-14-12/h1-8H.
What are the key properties of 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde?
4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde has a molecular weight of 256.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde is sourced from PubChem (CID 57448384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).