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

C11H16N4OS2 — CID 82430663

IUPAC5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCCc1nc(CCN(C)C)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C11H16N4OS2/c1-4-7-9(10-13-14-11(17)16-10)18-8(12-7)5-6-15(2)3/h4-6H2,1-3H3,(H,14,17)
InChIKeyBOYFEUSEPXXRKP-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.52
Rot. Bonds5

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

5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82430663) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82430663
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC Name5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCCc1nc(CCN(C)C)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C11H16N4OS2/c1-4-7-9(10-13-14-11(17)16-10)18-8(12-7)5-6-15(2)3/h4-6H2,1-3H3,(H,14,17)
InChIKeyBOYFEUSEPXXRKP-UHFFFAOYSA-N
XLogP2.52
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82429377
5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82432111
5-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428596
5-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432361
5-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428238
5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428626
5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432787
5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82427369
5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione
CID 71337557
2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430651
5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82431707
5-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82435161

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82430663) is 5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is CCc1nc(CCN(C)C)sc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is BOYFEUSEPXXRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c1-4-7-9(10-13-14-11(17)16-10)18-8(12-7)5-6-15(2)3/h4-6H2,1-3H3,(H,14,17).
What are the key properties of 5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 284.41 g/mol, XLogP of 2.52, 5 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]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82430663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).