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

C19H20N4O2S — CID 57448284

IUPAC1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C19H20N4O2S/c20-17(24)14-7-10-23(11-8-14)12-13-3-5-15(6-4-13)25-19-22-18-16(26-19)2-1-9-21-18/h1-6,9,14H,7-8,10-12H2,(H2,20,24)
InChIKeyOXQZNSJFIPMIBE-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.18
Rot. Bonds5

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

1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 57448284) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID57448284
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C19H20N4O2S/c20-17(24)14-7-10-23(11-8-14)12-13-3-5-15(6-4-13)25-19-22-18-16(26-19)2-1-9-21-18/h1-6,9,14H,7-8,10-12H2,(H2,20,24)
InChIKeyOXQZNSJFIPMIBE-UHFFFAOYSA-N
XLogP3.18
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide (CID 57448284) is 1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1.
What is the InChIKey of 1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is OXQZNSJFIPMIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c20-17(24)14-7-10-23(11-8-14)12-13-3-5-15(6-4-13)25-19-22-18-16(26-19)2-1-9-21-18/h1-6,9,14H,7-8,10-12H2,(H2,20,24).
What are the key properties of 1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 57448284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).