5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine

C15H12ClFN4S — CID 130416470

IUPAC5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1nc(N2CCCC2)ccc1-c1nc2nc(Cl)ccc2s1
InChIInChI=1S/C15H12ClFN4S/c16-11-5-4-10-14(18-11)20-15(22-10)9-3-6-12(19-13(9)17)21-7-1-2-8-21/h3-6H,1-2,7-8H2
InChIKeyFCMNALJOUWLMLF-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.15
Rot. Bonds2

About 5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine

5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 130416470) has the molecular formula C15H12ClFN4S and a molecular weight of 334.81 g/mol. Its IUPAC name is 5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID130416470
Molecular FormulaC15H12ClFN4S
Molecular Weight334.81 g/mol
Exact Mass334.05
IUPAC Name5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1nc(N2CCCC2)ccc1-c1nc2nc(Cl)ccc2s1
InChIInChI=1S/C15H12ClFN4S/c16-11-5-4-10-14(18-11)20-15(22-10)9-3-6-12(19-13(9)17)21-7-1-2-8-21/h3-6H,1-2,7-8H2
InChIKeyFCMNALJOUWLMLF-UHFFFAOYSA-N
XLogP4.15
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine (CID 130416470) is 5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine is Fc1nc(N2CCCC2)ccc1-c1nc2nc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is FCMNALJOUWLMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4S/c16-11-5-4-10-14(18-11)20-15(22-10)9-3-6-12(19-13(9)17)21-7-1-2-8-21/h3-6H,1-2,7-8H2.
What are the key properties of 5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine?
5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 334.81 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 130416470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).