3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole

C16H14N2O2S — CID 596715

IUPAC3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole
SMILESCOc1ccc(-c2nsc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-19-13-7-3-11(4-8-13)15-17-16(21-18-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
InChIKeyZWUBAZHZOHYBLG-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.89
Rot. Bonds4

About 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole

3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole (PubChem CID 596715) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole
PubChem CID596715
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole
SMILESCOc1ccc(-c2nsc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-19-13-7-3-11(4-8-13)15-17-16(21-18-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
InChIKeyZWUBAZHZOHYBLG-UHFFFAOYSA-N
XLogP3.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole 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 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole (CID 596715) is 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole is COc1ccc(-c2nsc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole?
The InChIKey is ZWUBAZHZOHYBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-19-13-7-3-11(4-8-13)15-17-16(21-18-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3.
What are the key properties of 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole?
3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole has a molecular weight of 298.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methoxyphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 596715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).