5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole

C11H10N4O2S3 — CID 47153877

IUPAC5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESCCSc1nnc(SCc2nc(-c3ccco3)no2)s1
InChIInChI=1S/C11H10N4O2S3/c1-2-18-10-13-14-11(20-10)19-6-8-12-9(15-17-8)7-4-3-5-16-7/h3-5H,2,6H2,1H3
InChIKeyLATDMFVOMNRLQW-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.59
Rot. Bonds6

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

5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 47153877) has the molecular formula C11H10N4O2S3 and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID47153877
Molecular FormulaC11H10N4O2S3
Molecular Weight326.43 g/mol
Exact Mass326.00
IUPAC Name5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESCCSc1nnc(SCc2nc(-c3ccco3)no2)s1
InChIInChI=1S/C11H10N4O2S3/c1-2-18-10-13-14-11(20-10)19-6-8-12-9(15-17-8)7-4-3-5-16-7/h3-5H,2,6H2,1H3
InChIKeyLATDMFVOMNRLQW-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 43052764
[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630271
2-[3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294448
3-tert-butyl-5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47154950
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-methylpropan-1-amine
CID 66224314
3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 37314754
5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154148
2-(3,5-dimethylphenyl)-5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 55553029
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154142
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 43245014
1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 86922268
N-(furan-2-ylmethyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 26027813

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 47153877) is 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole is CCSc1nnc(SCc2nc(-c3ccco3)no2)s1.
What is the InChIKey of 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is LATDMFVOMNRLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S3/c1-2-18-10-13-14-11(20-10)19-6-8-12-9(15-17-8)7-4-3-5-16-7/h3-5H,2,6H2,1H3.
What are the key properties of 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 326.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 47153877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).