5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole

C16H14N2OS2 — CID 13427182

IUPAC5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole
SMILESCOc1ccc(-c2snnc2-c2ccc(SC)cc2)cc1
InChIInChI=1S/C16H14N2OS2/c1-19-13-7-3-12(4-8-13)16-15(17-18-21-16)11-5-9-14(20-2)10-6-11/h3-10H,1-2H3
InChIKeyJRNBIEDVAHHOBE-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.60
Rot. Bonds4

About 5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole

5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole (PubChem CID 13427182) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole
PubChem CID13427182
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole
SMILESCOc1ccc(-c2snnc2-c2ccc(SC)cc2)cc1
InChIInChI=1S/C16H14N2OS2/c1-19-13-7-3-12(4-8-13)16-15(17-18-21-16)11-5-9-14(20-2)10-6-11/h3-10H,1-2H3
InChIKeyJRNBIEDVAHHOBE-UHFFFAOYSA-N
XLogP4.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole (CID 13427182) is 5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole is COc1ccc(-c2snnc2-c2ccc(SC)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole?
The InChIKey is JRNBIEDVAHHOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-19-13-7-3-12(4-8-13)16-15(17-18-21-16)11-5-9-14(20-2)10-6-11/h3-10H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole?
5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole has a molecular weight of 314.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)thiadiazole is sourced from PubChem (CID 13427182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).