5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine

C12H7ClFN3S — CID 169149269

IUPAC5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine
SMILESNc1snc2nc(-c3ccccc3F)c(Cl)cc12
InChIInChI=1S/C12H7ClFN3S/c13-8-5-7-11(15)18-17-12(7)16-10(8)6-3-1-2-4-9(6)14/h1-5H,15H2
InChIKeyQAUZRVDBEPOCGD-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.73
Rot. Bonds1

About 5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine

5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine (PubChem CID 169149269) has the molecular formula C12H7ClFN3S and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine
PubChem CID169149269
Molecular FormulaC12H7ClFN3S
Molecular Weight279.73 g/mol
Exact Mass279.00
IUPAC Name5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine
SMILESNc1snc2nc(-c3ccccc3F)c(Cl)cc12
InChIInChI=1S/C12H7ClFN3S/c13-8-5-7-11(15)18-17-12(7)16-10(8)6-3-1-2-4-9(6)14/h1-5H,15H2
InChIKeyQAUZRVDBEPOCGD-UHFFFAOYSA-N
XLogP3.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine (CID 169149269) is 5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine is Nc1snc2nc(-c3ccccc3F)c(Cl)cc12.
What is the InChIKey of 5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine?
The InChIKey is QAUZRVDBEPOCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3S/c13-8-5-7-11(15)18-17-12(7)16-10(8)6-3-1-2-4-9(6)14/h1-5H,15H2.
What are the key properties of 5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine?
5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine has a molecular weight of 279.73 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-fluorophenyl)-[1,2]thiazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 169149269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).