4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole

C17H16N2O3S — CID 13427181

IUPAC4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole
SMILESCOc1ccc(-c2snnc2-c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C17H16N2O3S/c1-20-12-6-4-11(5-7-12)17-16(18-19-23-17)14-9-8-13(21-2)10-15(14)22-3/h4-10H,1-3H3
InChIKeyZDOAALKZPKEZBH-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.90
Rot. Bonds5

About 4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole

4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole (PubChem CID 13427181) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole
PubChem CID13427181
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole
SMILESCOc1ccc(-c2snnc2-c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C17H16N2O3S/c1-20-12-6-4-11(5-7-12)17-16(18-19-23-17)14-9-8-13(21-2)10-15(14)22-3/h4-10H,1-3H3
InChIKeyZDOAALKZPKEZBH-UHFFFAOYSA-N
XLogP3.90
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole (CID 13427181) is 4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole is COc1ccc(-c2snnc2-c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole?
The InChIKey is ZDOAALKZPKEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-20-12-6-4-11(5-7-12)17-16(18-19-23-17)14-9-8-13(21-2)10-15(14)22-3/h4-10H,1-3H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole?
4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole has a molecular weight of 328.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)thiadiazole is sourced from PubChem (CID 13427181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).