5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide

C18H21N3O3S — CID 143657471

IUPAC5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide
SMILESCCCCCN1c2ncccc2C2(COc3ccc(OC)nc32)S1=O
InChIInChI=1S/C18H21N3O3S/c1-3-4-5-11-21-17-13(7-6-10-19-17)18(25(21)22)12-24-14-8-9-15(23-2)20-16(14)18/h6-10H,3-5,11-12H2,1-2H3
InChIKeyXHCTVWJIPQJGMC-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.80
Rot. Bonds5

About 5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide

5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide (PubChem CID 143657471) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide.

Molecular Properties

Compound Name5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide
PubChem CID143657471
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide
SMILESCCCCCN1c2ncccc2C2(COc3ccc(OC)nc32)S1=O
InChIInChI=1S/C18H21N3O3S/c1-3-4-5-11-21-17-13(7-6-10-19-17)18(25(21)22)12-24-14-8-9-15(23-2)20-16(14)18/h6-10H,3-5,11-12H2,1-2H3
InChIKeyXHCTVWJIPQJGMC-UHFFFAOYSA-N
XLogP2.80
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide?
The IUPAC name of 5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide (CID 143657471) is 5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide.
What is the SMILES notation for 5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide?
The canonical SMILES for 5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide is CCCCCN1c2ncccc2C2(COc3ccc(OC)nc32)S1=O.
What is the InChIKey of 5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide?
The InChIKey is XHCTVWJIPQJGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-3-4-5-11-21-17-13(7-6-10-19-17)18(25(21)22)12-24-14-8-9-15(23-2)20-16(14)18/h6-10H,3-5,11-12H2,1-2H3.
What are the key properties of 5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide?
5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide has a molecular weight of 359.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-pentylspiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide is sourced from PubChem (CID 143657471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).