5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

C8H9N3O2S2 — CID 82427369

IUPAC5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCOCc1nc(C)c(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C8H9N3O2S2/c1-4-6(7-10-11-8(14)13-7)15-5(9-4)3-12-2/h3H2,1-2H3,(H,11,14)
InChIKeyXGKPUAMCOSOWKN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.31
Rot. Bonds3

About 5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82427369) has the molecular formula C8H9N3O2S2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82427369
Molecular FormulaC8H9N3O2S2
Molecular Weight243.31 g/mol
Exact Mass243.01
IUPAC Name5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCOCc1nc(C)c(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C8H9N3O2S2/c1-4-6(7-10-11-8(14)13-7)15-5(9-4)3-12-2/h3H2,1-2H3,(H,11,14)
InChIKeyXGKPUAMCOSOWKN-UHFFFAOYSA-N
XLogP2.31
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-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-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82427369) is 5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is COCc1nc(C)c(-c2n[nH]c(=S)o2)s1.
What is the InChIKey of 5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is XGKPUAMCOSOWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S2/c1-4-6(7-10-11-8(14)13-7)15-5(9-4)3-12-2/h3H2,1-2H3,(H,11,14).
What are the key properties of 5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 243.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82427369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).