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

C8H10N4OS3 — CID 47146063

IUPAC5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
SMILESCCSc1nnc(SCc2nc(C)no2)s1
InChIInChI=1S/C8H10N4OS3/c1-3-14-7-10-11-8(16-7)15-4-6-9-5(2)12-13-6/h3-4H2,1-2H3
InChIKeyNTGIUYYZEIYENV-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.63
Rot. Bonds5

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

5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 47146063) has the molecular formula C8H10N4OS3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID47146063
Molecular FormulaC8H10N4OS3
Molecular Weight274.40 g/mol
Exact Mass274.00
IUPAC Name5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
SMILESCCSc1nnc(SCc2nc(C)no2)s1
InChIInChI=1S/C8H10N4OS3/c1-3-14-7-10-11-8(16-7)15-4-6-9-5(2)12-13-6/h3-4H2,1-2H3
InChIKeyNTGIUYYZEIYENV-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-Methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 99823918
5-[1-[(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 72112680
3,5-Dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane
CID 143251930
[5-[(5-Methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methanethiol
CID 145064949
5-[(5-Methyl-1,2,4-oxadiazol-3-yl)methylthio]-1,3,4-thiadiazole-2-ylamine
CID 1255637
N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18166440
N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18166508
5-[(3-Butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 25417363
5-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 28782716
5-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 28782721
5-{[(3-Isopropyl-1,2,4-oxadiazol-5-yl)methyl]thio}-1,3,4-thiadiazol-2-amine
CID 29212528
2-[[5-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30284861

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole (CID 47146063) is 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole is CCSc1nnc(SCc2nc(C)no2)s1.
What is the InChIKey of 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is NTGIUYYZEIYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS3/c1-3-14-7-10-11-8(16-7)15-4-6-9-5(2)12-13-6/h3-4H2,1-2H3.
What are the key properties of 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole?
5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 274.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 47146063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).