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

C12H9FN4S — CID 70846385

IUPAC5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3nc(F)ccc3s2)cn1
InChIInChI=1S/C12H9FN4S/c1-14-10-5-2-7(6-15-10)12-17-11-8(18-12)3-4-9(13)16-11/h2-6H,1H3,(H,14,15)
InChIKeyKOMJKSSFLCFJFF-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.93
Rot. Bonds2

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

5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine (PubChem CID 70846385) has the molecular formula C12H9FN4S and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine
PubChem CID70846385
Molecular FormulaC12H9FN4S
Molecular Weight260.30 g/mol
Exact Mass260.05
IUPAC Name5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3nc(F)ccc3s2)cn1
InChIInChI=1S/C12H9FN4S/c1-14-10-5-2-7(6-15-10)12-17-11-8(18-12)3-4-9(13)16-11/h2-6H,1H3,(H,14,15)
InChIKeyKOMJKSSFLCFJFF-UHFFFAOYSA-N
XLogP2.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
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-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine?
The IUPAC name of 5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine (CID 70846385) is 5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine is CNc1ccc(-c2nc3nc(F)ccc3s2)cn1.
What is the InChIKey of 5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine?
The InChIKey is KOMJKSSFLCFJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4S/c1-14-10-5-2-7(6-15-10)12-17-11-8(18-12)3-4-9(13)16-11/h2-6H,1H3,(H,14,15).
What are the key properties of 5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine?
5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 70846385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).