7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione

C6H3ClN2OS — CID 84660721

IUPAC7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2nccc(Cl)c2o1
InChIInChI=1S/C6H3ClN2OS/c7-3-1-2-8-5-4(3)10-6(11)9-5/h1-2H,(H,8,9,11)
InChIKeyGFLLJVFYFSZAAW-UHFFFAOYSA-N
MW186.62 g/mol
LogP2.54
Rot. Bonds

About 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione

7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione (PubChem CID 84660721) has the molecular formula C6H3ClN2OS and a molecular weight of 186.62 g/mol. Its IUPAC name is 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
PubChem CID84660721
Molecular FormulaC6H3ClN2OS
Molecular Weight186.62 g/mol
Exact Mass185.97
IUPAC Name7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2nccc(Cl)c2o1
InChIInChI=1S/C6H3ClN2OS/c7-3-1-2-8-5-4(3)10-6(11)9-5/h1-2H,(H,8,9,11)
InChIKeyGFLLJVFYFSZAAW-UHFFFAOYSA-N
XLogP2.54
TPSA41.82 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione
CID 84660719
6,7-dichloro-3H-1,3-benzoxazole-2-thione
CID 82231103
6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
CID 155701556
ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 143569330
(7-chlorofuro[3,2-b]pyridin-2-yl)-trimethylsilane
CID 59427339
7-chloro-3H-1,3-benzothiazole-2-thione;7-chloro-3H-1,3-benzoxazole-2-thione
CID 174590266
3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 11160927
7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
CID 84667236
2-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrimidine-6-thione
CID 106476395
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrimidin-2-one
CID 106521970
4-chloro-3-hydroxypyridine-2-carbonitrile
CID 130837538
(4-chloro-3-iodo-2-pyridinyl)hydrazine
CID 66784143

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione (CID 84660721) is 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione is S=c1[nH]c2nccc(Cl)c2o1.
What is the InChIKey of 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
The InChIKey is GFLLJVFYFSZAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2OS/c7-3-1-2-8-5-4(3)10-6(11)9-5/h1-2H,(H,8,9,11).
What are the key properties of 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione has a molecular weight of 186.62 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 84660721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).