5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine

C14H9FN4S — CID 58362477

IUPAC5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(C#Cc2nc3ccc(F)nc3s2)cn1
InChIInChI=1S/C14H9FN4S/c1-16-12-6-2-9(8-17-12)3-7-13-18-10-4-5-11(15)19-14(10)20-13/h2,4-6,8H,1H3,(H,16,17)
InChIKeyGDYOAISOPZDSAP-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.67
Rot. Bonds1

About 5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine

5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine (PubChem CID 58362477) has the molecular formula C14H9FN4S and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine
PubChem CID58362477
Molecular FormulaC14H9FN4S
Molecular Weight284.32 g/mol
Exact Mass284.05
IUPAC Name5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(C#Cc2nc3ccc(F)nc3s2)cn1
InChIInChI=1S/C14H9FN4S/c1-16-12-6-2-9(8-17-12)3-7-13-18-10-4-5-11(15)19-14(10)20-13/h2,4-6,8H,1H3,(H,16,17)
InChIKeyGDYOAISOPZDSAP-UHFFFAOYSA-N
XLogP2.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine (CID 58362477) is 5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine is CNc1ccc(C#Cc2nc3ccc(F)nc3s2)cn1.
What is the InChIKey of 5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine?
The InChIKey is GDYOAISOPZDSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4S/c1-16-12-6-2-9(8-17-12)3-7-13-18-10-4-5-11(15)19-14(10)20-13/h2,4-6,8H,1H3,(H,16,17).
What are the key properties of 5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine?
5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine has a molecular weight of 284.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 58362477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).