5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole

C18H18N2O4S — CID 16721103

IUPAC5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole
SMILESCOc1ccc(-c2snnc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H18N2O4S/c1-21-13-7-5-11(6-8-13)18-16(19-20-25-18)12-9-14(22-2)17(24-4)15(10-12)23-3/h5-10H,1-4H3
InChIKeySIWFHHPZEQONJG-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.91
Rot. Bonds6

About 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole

5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole (PubChem CID 16721103) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole
PubChem CID16721103
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole
SMILESCOc1ccc(-c2snnc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H18N2O4S/c1-21-13-7-5-11(6-8-13)18-16(19-20-25-18)12-9-14(22-2)17(24-4)15(10-12)23-3/h5-10H,1-4H3
InChIKeySIWFHHPZEQONJG-UHFFFAOYSA-N
XLogP3.91
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole (CID 16721103) is 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole is COc1ccc(-c2snnc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole?
The InChIKey is SIWFHHPZEQONJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-21-13-7-5-11(6-8-13)18-16(19-20-25-18)12-9-14(22-2)17(24-4)15(10-12)23-3/h5-10H,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole?
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole has a molecular weight of 358.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole is sourced from PubChem (CID 16721103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).