2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole

C18H15BrN6OS — CID 2485525

IUPAC2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3Br)o2)c(C)c1
InChIInChI=1S/C18H15BrN6OS/c1-11-7-8-15(12(2)9-11)25-18(22-23-24-25)27-10-16-20-21-17(26-16)13-5-3-4-6-14(13)19/h3-9H,10H2,1-2H3
InChIKeyPIVYOJPJHZIUOH-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.38
Rot. Bonds5

About 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 2485525) has the molecular formula C18H15BrN6OS and a molecular weight of 443.33 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID2485525
Molecular FormulaC18H15BrN6OS
Molecular Weight443.33 g/mol
Exact Mass442.02
IUPAC Name2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3Br)o2)c(C)c1
InChIInChI=1S/C18H15BrN6OS/c1-11-7-8-15(12(2)9-11)25-18(22-23-24-25)27-10-16-20-21-17(26-16)13-5-3-4-6-14(13)19/h3-9H,10H2,1-2H3
InChIKeyPIVYOJPJHZIUOH-UHFFFAOYSA-N
XLogP4.38
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 2485525) is 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is Cc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3Br)o2)c(C)c1.
What is the InChIKey of 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is PIVYOJPJHZIUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN6OS/c1-11-7-8-15(12(2)9-11)25-18(22-23-24-25)27-10-16-20-21-17(26-16)13-5-3-4-6-14(13)19/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 443.33 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2485525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).