3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C19H18N4S — CID 71820965

IUPAC3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2nnc3sc(CCCc4ccccc4)nn23)cc1
InChIInChI=1S/C19H18N4S/c1-14-10-12-16(13-11-14)18-20-21-19-23(18)22-17(24-19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyYMLGLZGEJBJBDL-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.34
Rot. Bonds5

About 3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 71820965) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID71820965
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2nnc3sc(CCCc4ccccc4)nn23)cc1
InChIInChI=1S/C19H18N4S/c1-14-10-12-16(13-11-14)18-20-21-19-23(18)22-17(24-19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyYMLGLZGEJBJBDL-UHFFFAOYSA-N
XLogP4.34
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 71820965) is 3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1ccc(-c2nnc3sc(CCCc4ccccc4)nn23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is YMLGLZGEJBJBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-14-10-12-16(13-11-14)18-20-21-19-23(18)22-17(24-19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3.
What are the key properties of 3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 334.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 71820965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).