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

C11H15N3OS3 — CID 82432111

IUPAC5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCCCc1nc(CSCC)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C11H15N3OS3/c1-3-5-7-9(10-13-14-11(16)15-10)18-8(12-7)6-17-4-2/h3-6H2,1-2H3,(H,14,16)
InChIKeyCURVNRHEFNCENW-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.06
Rot. Bonds6

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

5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82432111) has the molecular formula C11H15N3OS3 and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82432111
Molecular FormulaC11H15N3OS3
Molecular Weight301.46 g/mol
Exact Mass301.04
IUPAC Name5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCCCc1nc(CSCC)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C11H15N3OS3/c1-3-5-7-9(10-13-14-11(16)15-10)18-8(12-7)6-17-4-2/h3-6H2,1-2H3,(H,14,16)
InChIKeyCURVNRHEFNCENW-UHFFFAOYSA-N
XLogP4.06
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione with MolForge

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Related Compounds

5-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432361
5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82430663
5-[4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82429377
5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432787
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-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82427369
5-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428596
5-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82435161
5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82441844
5-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428238
5-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82434754
5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428626

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82432111) is 5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is CCCc1nc(CSCC)sc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is CURVNRHEFNCENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS3/c1-3-5-7-9(10-13-14-11(16)15-10)18-8(12-7)6-17-4-2/h3-6H2,1-2H3,(H,14,16).
What are the key properties of 5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 301.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82432111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).