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

C15H17F2N3OS — CID 154946954

IUPAC5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC1(F)CCN(c2nc3ccc(OCC4CCC4)nc3s2)C1
InChIInChI=1S/C15H17F2N3OS/c16-15(17)6-7-20(9-15)14-18-11-4-5-12(19-13(11)22-14)21-8-10-2-1-3-10/h4-5,10H,1-3,6-9H2
InChIKeyYIVSMTPKGWYONA-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.72
Rot. Bonds4

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

5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 154946954) has the molecular formula C15H17F2N3OS and a molecular weight of 325.38 g/mol. Its IUPAC name is 5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID154946954
Molecular FormulaC15H17F2N3OS
Molecular Weight325.38 g/mol
Exact Mass325.11
IUPAC Name5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC1(F)CCN(c2nc3ccc(OCC4CCC4)nc3s2)C1
InChIInChI=1S/C15H17F2N3OS/c16-15(17)6-7-20(9-15)14-18-11-4-5-12(19-13(11)22-14)21-8-10-2-1-3-10/h4-5,10H,1-3,6-9H2
InChIKeyYIVSMTPKGWYONA-UHFFFAOYSA-N
XLogP3.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine (CID 154946954) is 5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine is FC1(F)CCN(c2nc3ccc(OCC4CCC4)nc3s2)C1.
What is the InChIKey of 5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is YIVSMTPKGWYONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS/c16-15(17)6-7-20(9-15)14-18-11-4-5-12(19-13(11)22-14)21-8-10-2-1-3-10/h4-5,10H,1-3,6-9H2.
What are the key properties of 5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
5-(cyclobutylmethoxy)-2-(3,3-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 325.38 g/mol, XLogP of 3.72, 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-difluoropyrrolidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 154946954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).