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

C11H16N4OS2 — CID 82424932

IUPAC5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCCN(CC)CCc1ncc(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C11H16N4OS2/c1-3-15(4-2)6-5-9-12-7-8(18-9)10-13-14-11(17)16-10/h7H,3-6H2,1-2H3,(H,14,17)
InChIKeyFGSZJHYLISLYAW-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.74
Rot. Bonds6

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

5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82424932) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82424932
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC Name5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCCN(CC)CCc1ncc(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C11H16N4OS2/c1-3-15(4-2)6-5-9-12-7-8(18-9)10-13-14-11(17)16-10/h7H,3-6H2,1-2H3,(H,14,17)
InChIKeyFGSZJHYLISLYAW-UHFFFAOYSA-N
XLogP2.74
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-[2-(diethylamino)ethyl]-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-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82424932) is 5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is CCN(CC)CCc1ncc(-c2n[nH]c(=S)o2)s1.
What is the InChIKey of 5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is FGSZJHYLISLYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c1-3-15(4-2)6-5-9-12-7-8(18-9)10-13-14-11(17)16-10/h7H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 284.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82424932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).