2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

C11H10N4O2S3 — CID 18129305

IUPAC2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCSCc1nnc(SCc2nc(-c3ccsc3)no2)o1
InChIInChI=1S/C11H10N4O2S3/c1-18-5-9-13-14-11(16-9)20-6-8-12-10(15-17-8)7-2-3-19-4-7/h2-4H,5-6H2,1H3
InChIKeyCBGKCMCSKSSJAJ-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.34
Rot. Bonds6

About 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 18129305) has the molecular formula C11H10N4O2S3 and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID18129305
Molecular FormulaC11H10N4O2S3
Molecular Weight326.43 g/mol
Exact Mass326.00
IUPAC Name2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCSCc1nnc(SCc2nc(-c3ccsc3)no2)o1
InChIInChI=1S/C11H10N4O2S3/c1-18-5-9-13-14-11(16-9)20-6-8-12-10(15-17-8)7-2-3-19-4-7/h2-4H,5-6H2,1H3
InChIKeyCBGKCMCSKSSJAJ-UHFFFAOYSA-N
XLogP3.34
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 37286339
2-(2-methylphenyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 8889827
2-(1,3-benzodioxol-5-yl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 17394352
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
CID 43249554
2-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 71860539
5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 26733074
5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 8738960
3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-1-ol
CID 65417069
5-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 8935122
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43241506
3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-1-amine
CID 66229781
3-thiophen-3-yl-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 8952313

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 18129305) is 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is CSCc1nnc(SCc2nc(-c3ccsc3)no2)o1.
What is the InChIKey of 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is CBGKCMCSKSSJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S3/c1-18-5-9-13-14-11(16-9)20-6-8-12-10(15-17-8)7-2-3-19-4-7/h2-4H,5-6H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 326.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 18129305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).