5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine

C18H12FN3S — CID 90094776

IUPAC5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1cc(-c2ncccc2-c2ccc3ncsc3n2)ccc1F
InChIInChI=1S/C18H12FN3S/c1-11-9-12(4-5-14(11)19)17-13(3-2-8-20-17)15-6-7-16-18(22-15)23-10-21-16/h2-10H,1H3
InChIKeyCSNHPIACPJAUOL-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.87
Rot. Bonds2

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

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 90094776) has the molecular formula C18H12FN3S and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID90094776
Molecular FormulaC18H12FN3S
Molecular Weight321.38 g/mol
Exact Mass321.07
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1cc(-c2ncccc2-c2ccc3ncsc3n2)ccc1F
InChIInChI=1S/C18H12FN3S/c1-11-9-12(4-5-14(11)19)17-13(3-2-8-20-17)15-6-7-16-18(22-15)23-10-21-16/h2-10H,1H3
InChIKeyCSNHPIACPJAUOL-UHFFFAOYSA-N
XLogP4.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine (CID 90094776) is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine is Cc1cc(-c2ncccc2-c2ccc3ncsc3n2)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is CSNHPIACPJAUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3S/c1-11-9-12(4-5-14(11)19)17-13(3-2-8-20-17)15-6-7-16-18(22-15)23-10-21-16/h2-10H,1H3.
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 321.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 90094776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).