2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole

C15H14N6O2S2 — CID 9363094

IUPAC2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(CSc3nnnn3Cc3cccs3)o2)c(C)o1
InChIInChI=1S/C15H14N6O2S2/c1-9-6-12(10(2)22-9)14-17-16-13(23-14)8-25-15-18-19-20-21(15)7-11-4-3-5-24-11/h3-6H,7-8H2,1-2H3
InChIKeyTUZUVTPKWFWRHL-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.34
Rot. Bonds6

About 2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 9363094) has the molecular formula C15H14N6O2S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID9363094
Molecular FormulaC15H14N6O2S2
Molecular Weight374.45 g/mol
Exact Mass374.06
IUPAC Name2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(CSc3nnnn3Cc3cccs3)o2)c(C)o1
InChIInChI=1S/C15H14N6O2S2/c1-9-6-12(10(2)22-9)14-17-16-13(23-14)8-25-15-18-19-20-21(15)7-11-4-3-5-24-11/h3-6H,7-8H2,1-2H3
InChIKeyTUZUVTPKWFWRHL-UHFFFAOYSA-N
XLogP3.34
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 37285381
2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 17446430
5-[(2-methylphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 47120849
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]aniline
CID 43248942
6-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24522408
tert-butyl 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47120873
6-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17402376
5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 51244559
2-(2,5-dimethylfuran-3-yl)-5-[(4-methoxyphenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8908221
2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 36987849
5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 24519711
1-(2,5-dimethylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 36987470

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 9363094) is 2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is Cc1cc(-c2nnc(CSc3nnnn3Cc3cccs3)o2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is TUZUVTPKWFWRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S2/c1-9-6-12(10(2)22-9)14-17-16-13(23-14)8-25-15-18-19-20-21(15)7-11-4-3-5-24-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 374.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 9363094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).