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

C10H14N4OS2 — CID 47151086

IUPAC3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1nnc(SCc2nc(C(C)(C)C)no2)s1
InChIInChI=1S/C10H14N4OS2/c1-6-12-13-9(17-6)16-5-7-11-8(14-15-7)10(2,3)4/h5H2,1-4H3
InChIKeyOYVPDKWPNGDXFU-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.82
Rot. Bonds3

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

3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 47151086) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID47151086
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1nnc(SCc2nc(C(C)(C)C)no2)s1
InChIInChI=1S/C10H14N4OS2/c1-6-12-13-9(17-6)16-5-7-11-8(14-15-7)10(2,3)4/h5H2,1-4H3
InChIKeyOYVPDKWPNGDXFU-UHFFFAOYSA-N
XLogP2.82
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 47151086) is 3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is Cc1nnc(SCc2nc(C(C)(C)C)no2)s1.
What is the InChIKey of 3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is OYVPDKWPNGDXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-6-12-13-9(17-6)16-5-7-11-8(14-15-7)10(2,3)4/h5H2,1-4H3.
What are the key properties of 3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 270.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47151086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).