2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine

C12H9N3S — CID 162412296

IUPAC2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine
SMILESNc1ccc2nc(-c3ccccc3)sc2n1
InChIInChI=1S/C12H9N3S/c13-10-7-6-9-12(15-10)16-11(14-9)8-4-2-1-3-5-8/h1-7H,(H2,13,15)
InChIKeyNSXBGDYCWYLKCW-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds1

About 2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine

2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine (PubChem CID 162412296) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound Name2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine
PubChem CID162412296
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine
SMILESNc1ccc2nc(-c3ccccc3)sc2n1
InChIInChI=1S/C12H9N3S/c13-10-7-6-9-12(15-10)16-11(14-9)8-4-2-1-3-5-8/h1-7H,(H2,13,15)
InChIKeyNSXBGDYCWYLKCW-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine?
The IUPAC name of 2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine (CID 162412296) is 2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for 2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for 2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine is Nc1ccc2nc(-c3ccccc3)sc2n1.
What is the InChIKey of 2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine?
The InChIKey is NSXBGDYCWYLKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c13-10-7-6-9-12(15-10)16-11(14-9)8-4-2-1-3-5-8/h1-7H,(H2,13,15).
What are the key properties of 2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine?
2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine has a molecular weight of 227.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 162412296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).