2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole

C14H16N4O2S2 — CID 75379789

IUPAC2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CSCc2noc(-c3ccsc3)n2)o1
InChIInChI=1S/C14H16N4O2S2/c1-14(2,3)13-17-16-11(19-13)8-22-7-10-15-12(20-18-10)9-4-5-21-6-9/h4-6H,7-8H2,1-3H3
InChIKeyTVGMEOBOZNSYDQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.91
Rot. Bonds5

About 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole

2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 75379789) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
PubChem CID75379789
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CSCc2noc(-c3ccsc3)n2)o1
InChIInChI=1S/C14H16N4O2S2/c1-14(2,3)13-17-16-11(19-13)8-22-7-10-15-12(20-18-10)9-4-5-21-6-9/h4-6H,7-8H2,1-3H3
InChIKeyTVGMEOBOZNSYDQ-UHFFFAOYSA-N
XLogP3.91
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetic acid
CID 43169810
3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 67070761
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106678486
2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol
CID 75436513
2-tert-butyl-5-(1,2-oxazol-3-ylmethylsulfanylmethyl)-1,3,4-oxadiazole
CID 84587308
6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 61305044
2,2,3-trimethyl-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
CID 65264570
2-fluoro-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 79141214
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79790929
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole (CID 75379789) is 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole is CC(C)(C)c1nnc(CSCc2noc(-c3ccsc3)n2)o1.
What is the InChIKey of 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is TVGMEOBOZNSYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-14(2,3)13-17-16-11(19-13)8-22-7-10-15-12(20-18-10)9-4-5-21-6-9/h4-6H,7-8H2,1-3H3.
What are the key properties of 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 336.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 75379789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).