2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

C8H10N4OS3 — CID 47134588

IUPAC2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2nnc(SC)s2)o1
InChIInChI=1S/C8H10N4OS3/c1-3-5-9-10-6(13-5)4-15-8-12-11-7(14-2)16-8/h3-4H2,1-2H3
InChIKeyARZCGOKCXAORGT-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.50
Rot. Bonds5

About 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 47134588) has the molecular formula C8H10N4OS3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID47134588
Molecular FormulaC8H10N4OS3
Molecular Weight274.40 g/mol
Exact Mass274.00
IUPAC Name2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2nnc(SC)s2)o1
InChIInChI=1S/C8H10N4OS3/c1-3-5-9-10-6(13-5)4-15-8-12-11-7(14-2)16-8/h3-4H2,1-2H3
InChIKeyARZCGOKCXAORGT-UHFFFAOYSA-N
XLogP2.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2,5-diethyl-1,3,4-oxadiazole
CID 11029848
2-but-2-ynylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 131019948
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 115383643
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 115383304
2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 22889812
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
CID 115383644
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 29179177
2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
CID 89302858
3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47321899
2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 99825795
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine
CID 106678877
N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 115383292

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 47134588) is 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is CCc1nnc(CSc2nnc(SC)s2)o1.
What is the InChIKey of 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is ARZCGOKCXAORGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS3/c1-3-5-9-10-6(13-5)4-15-8-12-11-7(14-2)16-8/h3-4H2,1-2H3.
What are the key properties of 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 274.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 47134588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).