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

C15H11FN2OS — CID 5145629

IUPAC2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(-c3cccc(F)c3)s2)cc1
InChIInChI=1S/C15H11FN2OS/c1-19-13-7-5-10(6-8-13)14-17-18-15(20-14)11-3-2-4-12(16)9-11/h2-9H,1H3
InChIKeyLQLOVHPIGWJSDW-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.02
Rot. Bonds3

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

2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole (PubChem CID 5145629) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
PubChem CID5145629
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(-c3cccc(F)c3)s2)cc1
InChIInChI=1S/C15H11FN2OS/c1-19-13-7-5-10(6-8-13)14-17-18-15(20-14)11-3-2-4-12(16)9-11/h2-9H,1H3
InChIKeyLQLOVHPIGWJSDW-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole (CID 5145629) is 2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole is COc1ccc(-c2nnc(-c3cccc(F)c3)s2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The InChIKey is LQLOVHPIGWJSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-19-13-7-5-10(6-8-13)14-17-18-15(20-14)11-3-2-4-12(16)9-11/h2-9H,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole has a molecular weight of 286.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 5145629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).