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

C7H6N2OS — CID 12664278

IUPAC5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
SMILESCc1ccc2oc(=S)[nH]c2n1
InChIInChI=1S/C7H6N2OS/c1-4-2-3-5-6(8-4)9-7(11)10-5/h2-3H,1H3,(H,8,9,11)
InChIKeyMGXUVVBOGPSKRQ-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.19
Rot. Bonds

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

5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione (PubChem CID 12664278) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
PubChem CID12664278
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
SMILESCc1ccc2oc(=S)[nH]c2n1
InChIInChI=1S/C7H6N2OS/c1-4-2-3-5-6(8-4)9-7(11)10-5/h2-3H,1H3,(H,8,9,11)
InChIKeyMGXUVVBOGPSKRQ-UHFFFAOYSA-N
XLogP2.19
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione (CID 12664278) is 5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione is Cc1ccc2oc(=S)[nH]c2n1.
What is the InChIKey of 5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
The InChIKey is MGXUVVBOGPSKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-4-2-3-5-6(8-4)9-7(11)10-5/h2-3H,1H3,(H,8,9,11).
What are the key properties of 5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione has a molecular weight of 166.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 12664278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).