4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline

C12H9N3S — CID 2143094

IUPAC4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
SMILESNc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C12H9N3S/c13-9-5-3-8(4-6-9)11-15-10-2-1-7-14-12(10)16-11/h1-7H,13H2
InChIKeyIVSNYGRJULLELG-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds1

About 4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline

4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline (PubChem CID 2143094) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
PubChem CID2143094
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
SMILESNc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C12H9N3S/c13-9-5-3-8(4-6-9)11-15-10-2-1-7-14-12(10)16-11/h1-7H,13H2
InChIKeyIVSNYGRJULLELG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?
The IUPAC name of 4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline (CID 2143094) is 4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline.
What is the SMILES notation for 4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?
The canonical SMILES for 4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline is Nc1ccc(-c2nc3cccnc3s2)cc1.
What is the InChIKey of 4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?
The InChIKey is IVSNYGRJULLELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c13-9-5-3-8(4-6-9)11-15-10-2-1-7-14-12(10)16-11/h1-7H,13H2.
What are the key properties of 4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?
4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline 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 4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline is sourced from PubChem (CID 2143094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).