5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine

C15H18FN3OS — CID 154946800

IUPAC5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC1CCN(c2nc3ccc(OCC4CCC4)nc3s2)C1
InChIInChI=1S/C15H18FN3OS/c16-11-6-7-19(8-11)15-17-12-4-5-13(18-14(12)21-15)20-9-10-2-1-3-10/h4-5,10-11H,1-3,6-9H2
InChIKeySWTZIZQMZYHMEU-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.42
Rot. Bonds4

About 5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine

5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 154946800) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID154946800
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC1CCN(c2nc3ccc(OCC4CCC4)nc3s2)C1
InChIInChI=1S/C15H18FN3OS/c16-11-6-7-19(8-11)15-17-12-4-5-13(18-14(12)21-15)20-9-10-2-1-3-10/h4-5,10-11H,1-3,6-9H2
InChIKeySWTZIZQMZYHMEU-UHFFFAOYSA-N
XLogP3.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine (CID 154946800) is 5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine is FC1CCN(c2nc3ccc(OCC4CCC4)nc3s2)C1.
What is the InChIKey of 5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is SWTZIZQMZYHMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c16-11-6-7-19(8-11)15-17-12-4-5-13(18-14(12)21-15)20-9-10-2-1-3-10/h4-5,10-11H,1-3,6-9H2.
What are the key properties of 5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 307.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethoxy)-2-(3-fluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 154946800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).