5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione

C12H11N3OS3 — CID 82432787

IUPAC5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCCc1nc(-c2cccs2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C12H11N3OS3/c1-2-4-7-9(10-14-15-12(17)16-10)19-11(13-7)8-5-3-6-18-8/h3,5-6H,2,4H2,1H3,(H,15,17)
InChIKeyGDRCVGUQAWDGMH-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.54
Rot. Bonds4

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

5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82432787) has the molecular formula C12H11N3OS3 and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID82432787
Molecular FormulaC12H11N3OS3
Molecular Weight309.44 g/mol
Exact Mass309.01
IUPAC Name5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCCc1nc(-c2cccs2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C12H11N3OS3/c1-2-4-7-9(10-14-15-12(17)16-10)19-11(13-7)8-5-3-6-18-8/h3,5-6H,2,4H2,1H3,(H,15,17)
InChIKeyGDRCVGUQAWDGMH-UHFFFAOYSA-N
XLogP4.54
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.54
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-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82431707
5-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428596
5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82432111
3-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 82430286
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
4-hexyl-2-[5-(4-hexyl-2-thiophen-2-yl-1,3-thiazol-5-yl)thiophen-2-yl]-5-thiophen-2-yl-1,3-thiazole
CID 59297189
4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 101449342
5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82430663
5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione
CID 139220948
5-[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82425807
4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82430275

Frequently Asked Questions

What is the IUPAC name of 5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (CID 82432787) is 5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is CCCc1nc(-c2cccs2)sc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is GDRCVGUQAWDGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS3/c1-2-4-7-9(10-14-15-12(17)16-10)19-11(13-7)8-5-3-6-18-8/h3,5-6H,2,4H2,1H3,(H,15,17).
What are the key properties of 5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 309.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82432787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).