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

C15H12N6OS2 — CID 37285381

IUPAC2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CSc3nnnn3Cc3cccs3)o2)cc1
InChIInChI=1S/C15H12N6OS2/c1-2-5-11(6-3-1)14-17-16-13(22-14)10-24-15-18-19-20-21(15)9-12-7-4-8-23-12/h1-8H,9-10H2
InChIKeyZGKQFMLBJYIBKU-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.13
Rot. Bonds6

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

2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 37285381) has the molecular formula C15H12N6OS2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID37285381
Molecular FormulaC15H12N6OS2
Molecular Weight356.44 g/mol
Exact Mass356.05
IUPAC Name2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CSc3nnnn3Cc3cccs3)o2)cc1
InChIInChI=1S/C15H12N6OS2/c1-2-5-11(6-3-1)14-17-16-13(22-14)10-24-15-18-19-20-21(15)9-12-7-4-8-23-12/h1-8H,9-10H2
InChIKeyZGKQFMLBJYIBKU-UHFFFAOYSA-N
XLogP3.13
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 36987849
2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 9363094
5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 51244559
5-[(2-methylphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 47120849
6-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24522408
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 1375449
2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 24574257
5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 24519711
2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 38841871
6-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17402376
2-phenyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2106171
2-thiophen-2-yl-5-[(1R)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole
CID 41143175

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 37285381) is 2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(CSc3nnnn3Cc3cccs3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is ZGKQFMLBJYIBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS2/c1-2-5-11(6-3-1)14-17-16-13(22-14)10-24-15-18-19-20-21(15)9-12-7-4-8-23-12/h1-8H,9-10H2.
What are the key properties of 2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 356.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 37285381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).