6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C20H13N5S — CID 98361777

IUPAC6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESC(=C\c1nn2c(-c3ccc4ccccc4n3)nnc2s1)\c1ccccc1
InChIInChI=1S/C20H13N5S/c1-2-6-14(7-3-1)10-13-18-24-25-19(22-23-20(25)26-18)17-12-11-15-8-4-5-9-16(15)21-17/h1-13H/b13-10-
InChIKeyOQVAHAGGEUUJOG-RAXLEYEMSA-N
MW355.43 g/mol
LogP4.57
Rot. Bonds3

About 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 98361777) has the molecular formula C20H13N5S and a molecular weight of 355.43 g/mol. Its IUPAC name is 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID98361777
Molecular FormulaC20H13N5S
Molecular Weight355.43 g/mol
Exact Mass355.09
IUPAC Name6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESC(=C\c1nn2c(-c3ccc4ccccc4n3)nnc2s1)\c1ccccc1
InChIInChI=1S/C20H13N5S/c1-2-6-14(7-3-1)10-13-18-24-25-19(22-23-20(25)26-18)17-12-11-15-8-4-5-9-16(15)21-17/h1-13H/b13-10-
InChIKeyOQVAHAGGEUUJOG-RAXLEYEMSA-N
XLogP4.57
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 92858141
3-(1-benzofuran-2-yl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 86206649
3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16765074
3-(3-fluorophenyl)-6-(2-phenylethenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71966491
3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 142718757
6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 171132486
3-(methoxymethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6471727
3-[(2-methylphenyl)methyl]-6-(2-phenylethenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5177830
6-[(E)-2-(4-fluorophenyl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5311811
6-[(E)-2-(4-chlorophenyl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6229201
N-methyl-1-phenyl-N-[[6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]methanamine
CID 47001260
6-[2-(3-chlorophenyl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4913608

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 98361777) is 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C(=C\c1nn2c(-c3ccc4ccccc4n3)nnc2s1)\c1ccccc1.
What is the InChIKey of 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is OQVAHAGGEUUJOG-RAXLEYEMSA-N. The full InChI is InChI=1S/C20H13N5S/c1-2-6-14(7-3-1)10-13-18-24-25-19(22-23-20(25)26-18)17-12-11-15-8-4-5-9-16(15)21-17/h1-13H/b13-10-.
What are the key properties of 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 355.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 98361777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).