2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine

C11H10F3N3S — CID 134974876

IUPAC2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2sc(N3CCCC3)nc2n1
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)8-4-3-7-9(15-8)16-10(18-7)17-5-1-2-6-17/h3-4H,1-2,5-6H2
InChIKeyVVNFHPYBVFERAQ-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.31
Rot. Bonds1

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

2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 134974876) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID134974876
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2sc(N3CCCC3)nc2n1
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)8-4-3-7-9(15-8)16-10(18-7)17-5-1-2-6-17/h3-4H,1-2,5-6H2
InChIKeyVVNFHPYBVFERAQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine (CID 134974876) is 2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine is FC(F)(F)c1ccc2sc(N3CCCC3)nc2n1.
What is the InChIKey of 2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is VVNFHPYBVFERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c12-11(13,14)8-4-3-7-9(15-8)16-10(18-7)17-5-1-2-6-17/h3-4H,1-2,5-6H2.
What are the key properties of 2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine?
2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 273.28 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 134974876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).