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

C9H12N4OS2 — CID 82424908

IUPAC5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCN(C)CCc1ncc(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C9H12N4OS2/c1-13(2)4-3-7-10-5-6(16-7)8-11-12-9(15)14-8/h5H,3-4H2,1-2H3,(H,12,15)
InChIKeyMEGTWPAGVNGQAO-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.96
Rot. Bonds4

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

5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82424908) has the molecular formula C9H12N4OS2 and a molecular weight of 256.36 g/mol. Its IUPAC name is 5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82424908
Molecular FormulaC9H12N4OS2
Molecular Weight256.36 g/mol
Exact Mass256.05
IUPAC Name5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCN(C)CCc1ncc(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C9H12N4OS2/c1-13(2)4-3-7-10-5-6(16-7)8-11-12-9(15)14-8/h5H,3-4H2,1-2H3,(H,12,15)
InChIKeyMEGTWPAGVNGQAO-UHFFFAOYSA-N
XLogP1.96
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82424908) is 5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is CN(C)CCc1ncc(-c2n[nH]c(=S)o2)s1.
What is the InChIKey of 5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is MEGTWPAGVNGQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS2/c1-13(2)4-3-7-10-5-6(16-7)8-11-12-9(15)14-8/h5H,3-4H2,1-2H3,(H,12,15).
What are the key properties of 5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 256.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82424908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).