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

C15H15F4N3OS — CID 154946773

IUPAC5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC1(F)CN(c2nc3ccc(OCC4CCC4)nc3s2)CC1(F)F
InChIInChI=1S/C15H15F4N3OS/c16-14(17)7-22(8-15(14,18)19)13-20-10-4-5-11(21-12(10)24-13)23-6-9-2-1-3-9/h4-5,9H,1-3,6-8H2
InChIKeyJPZZKFLWLANTKK-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.96
Rot. Bonds4

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

5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 154946773) has the molecular formula C15H15F4N3OS and a molecular weight of 361.36 g/mol. Its IUPAC name is 5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID154946773
Molecular FormulaC15H15F4N3OS
Molecular Weight361.36 g/mol
Exact Mass361.09
IUPAC Name5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC1(F)CN(c2nc3ccc(OCC4CCC4)nc3s2)CC1(F)F
InChIInChI=1S/C15H15F4N3OS/c16-14(17)7-22(8-15(14,18)19)13-20-10-4-5-11(21-12(10)24-13)23-6-9-2-1-3-9/h4-5,9H,1-3,6-8H2
InChIKeyJPZZKFLWLANTKK-UHFFFAOYSA-N
XLogP3.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine (CID 154946773) is 5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine is FC1(F)CN(c2nc3ccc(OCC4CCC4)nc3s2)CC1(F)F.
What is the InChIKey of 5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is JPZZKFLWLANTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3OS/c16-14(17)7-22(8-15(14,18)19)13-20-10-4-5-11(21-12(10)24-13)23-6-9-2-1-3-9/h4-5,9H,1-3,6-8H2.
What are the key properties of 5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 361.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethoxy)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 154946773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).