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

C12H9N3OS — CID 136872164

IUPAC2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol
SMILESNc1cc(-c2nc3cccnc3s2)ccc1O
InChIInChI=1S/C12H9N3OS/c13-8-6-7(3-4-10(8)16)11-15-9-2-1-5-14-12(9)17-11/h1-6,16H,13H2
InChIKeyUIROBCCPQKHNTL-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.65
Rot. Bonds1

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

2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol (PubChem CID 136872164) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol.

Molecular Properties

Compound Name2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol
PubChem CID136872164
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol
SMILESNc1cc(-c2nc3cccnc3s2)ccc1O
InChIInChI=1S/C12H9N3OS/c13-8-6-7(3-4-10(8)16)11-15-9-2-1-5-14-12(9)17-11/h1-6,16H,13H2
InChIKeyUIROBCCPQKHNTL-UHFFFAOYSA-N
XLogP2.65
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391283
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)benzene-1,4-diol
CID 136927565
[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine
CID 114324844
2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine
CID 169326471
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743
4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
CID 113305036
4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806807
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141366
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 7141315
3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol?
The IUPAC name of 2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol (CID 136872164) is 2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol.
What is the SMILES notation for 2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol?
The canonical SMILES for 2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol is Nc1cc(-c2nc3cccnc3s2)ccc1O.
What is the InChIKey of 2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol?
The InChIKey is UIROBCCPQKHNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-8-6-7(3-4-10(8)16)11-15-9-2-1-5-14-12(9)17-11/h1-6,16H,13H2.
What are the key properties of 2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol?
2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol has a molecular weight of 243.29 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol is sourced from PubChem (CID 136872164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).