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

C7H8N4OS2 — CID 47140862

IUPAC3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1noc(CSc2nnc(C)s2)n1
InChIInChI=1S/C7H8N4OS2/c1-4-8-6(12-11-4)3-13-7-10-9-5(2)14-7/h3H2,1-2H3
InChIKeyJZGFVTWYGKRVEO-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.83
Rot. Bonds3

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

3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 47140862) has the molecular formula C7H8N4OS2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID47140862
Molecular FormulaC7H8N4OS2
Molecular Weight228.30 g/mol
Exact Mass228.01
IUPAC Name3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1noc(CSc2nnc(C)s2)n1
InChIInChI=1S/C7H8N4OS2/c1-4-8-6(12-11-4)3-13-7-10-9-5(2)14-7/h3H2,1-2H3
InChIKeyJZGFVTWYGKRVEO-UHFFFAOYSA-N
XLogP1.83
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 47140862) is 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is Cc1noc(CSc2nnc(C)s2)n1.
What is the InChIKey of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is JZGFVTWYGKRVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS2/c1-4-8-6(12-11-4)3-13-7-10-9-5(2)14-7/h3H2,1-2H3.
What are the key properties of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 228.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47140862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).