5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one

C6H3ClN2OS — CID 14423128

IUPAC5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1[nH]c2ccc(Cl)nc2s1
InChIInChI=1S/C6H3ClN2OS/c7-4-2-1-3-5(9-4)11-6(10)8-3/h1-2H,(H,8,10)
InChIKeyWDGXEKPHXHOZGD-UHFFFAOYSA-N
MW186.62 g/mol
LogP1.64
Rot. Bonds

About 5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one

5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 14423128) has the molecular formula C6H3ClN2OS and a molecular weight of 186.62 g/mol. Its IUPAC name is 5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID14423128
Molecular FormulaC6H3ClN2OS
Molecular Weight186.62 g/mol
Exact Mass185.97
IUPAC Name5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1[nH]c2ccc(Cl)nc2s1
InChIInChI=1S/C6H3ClN2OS/c7-4-2-1-3-5(9-4)11-6(10)8-3/h1-2H,(H,8,10)
InChIKeyWDGXEKPHXHOZGD-UHFFFAOYSA-N
XLogP1.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-[(2,2-difluorocyclopropyl)methyl][1,3]thiazolo[5,4-b]pyridin-2(1H)-one
CID 86676504
5-Chloro-1-(4,4-difluoropentyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 144272264
6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
CID 13056866
5-Chloro[1,3]thiazolo[5,4-b]pyridine-2(1H)-thione
CID 13799666
2-Propylthio-3-amino-6-chloropyridine
CID 12700492
3-Acetamido-6-chloro-2-ethoxycarbonylthiopyridine
CID 129783341
5-Fluoro-1H-thiazolo[5,4-b]pyridin-2-one
CID 86767807
N-[6-chloro-2-(methylsulfanyl)-3-pyridinyl]acetamide
CID 130005116
6-Chlorothiazolo[5,4-b]pyridin-2(1H)-one
CID 2747576
5-Chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 77230908
5-Chloro-1-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 88189901
5-Chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine
CID 123536193

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 14423128) is 5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one is O=c1[nH]c2ccc(Cl)nc2s1.
What is the InChIKey of 5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is WDGXEKPHXHOZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2OS/c7-4-2-1-3-5(9-4)11-6(10)8-3/h1-2H,(H,8,10).
What are the key properties of 5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 186.62 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 14423128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).