5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine

C17H9ClFN3S — CID 90094802

IUPAC5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFc1ccc(-c2ncccc2-c2ccc3ncsc3n2)cc1Cl
InChIInChI=1S/C17H9ClFN3S/c18-12-8-10(3-4-13(12)19)16-11(2-1-7-20-16)14-5-6-15-17(22-14)23-9-21-15/h1-9H
InChIKeyBEMPXQYQWCJGJN-UHFFFAOYSA-N
MW341.80 g/mol
LogP5.21
Rot. Bonds2

About 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine

5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 90094802) has the molecular formula C17H9ClFN3S and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID90094802
Molecular FormulaC17H9ClFN3S
Molecular Weight341.80 g/mol
Exact Mass341.02
IUPAC Name5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFc1ccc(-c2ncccc2-c2ccc3ncsc3n2)cc1Cl
InChIInChI=1S/C17H9ClFN3S/c18-12-8-10(3-4-13(12)19)16-11(2-1-7-20-16)14-5-6-15-17(22-14)23-9-21-15/h1-9H
InChIKeyBEMPXQYQWCJGJN-UHFFFAOYSA-N
XLogP5.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.80
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine (CID 90094802) is 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine is Fc1ccc(-c2ncccc2-c2ccc3ncsc3n2)cc1Cl.
What is the InChIKey of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is BEMPXQYQWCJGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFN3S/c18-12-8-10(3-4-13(12)19)16-11(2-1-7-20-16)14-5-6-15-17(22-14)23-9-21-15/h1-9H.
What are the key properties of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 341.80 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 90094802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).