4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline

C17H15N5OS — CID 92946530

IUPAC4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc3sc(/C=C\c4ccco4)nn23)cc1
InChIInChI=1S/C17H15N5OS/c1-21(2)13-7-5-12(6-8-13)16-18-19-17-22(16)20-15(24-17)10-9-14-4-3-11-23-14/h3-11H,1-2H3/b10-9-
InChIKeyHYGNBMVDUWDIPJ-KTKRTIGZSA-N
MW337.41 g/mol
LogP3.68
Rot. Bonds4

About 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline

4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline (PubChem CID 92946530) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
PubChem CID92946530
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc3sc(/C=C\c4ccco4)nn23)cc1
InChIInChI=1S/C17H15N5OS/c1-21(2)13-7-5-12(6-8-13)16-18-19-17-22(16)20-15(24-17)10-9-14-4-3-11-23-14/h3-11H,1-2H3/b10-9-
InChIKeyHYGNBMVDUWDIPJ-KTKRTIGZSA-N
XLogP3.68
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline with MolForge

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Related Compounds

3-(furan-2-yl)-6-[2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4897639
4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
CID 4970267
6-[2-(furan-2-yl)ethenyl]-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71966696
3-(4-tert-butylphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936948
6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 92858141
3-(4-tert-butylphenyl)-6-[2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71947049
N,N-dimethyl-4-[6-[(1S)-1-phenylpropyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline
CID 40964761
6-[(E)-2-(2,5-dichlorophenyl)ethenyl]-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 18871263
4-[3-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridine-3,5-diol
CID 135542015
3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4234519
N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline
CID 11840621
3-(4-bromophenyl)-6-[(E)-2-(3-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 18871213

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline (CID 92946530) is 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nnc3sc(/C=C\c4ccco4)nn23)cc1.
What is the InChIKey of 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline?
The InChIKey is HYGNBMVDUWDIPJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-21(2)13-7-5-12(6-8-13)16-18-19-17-22(16)20-15(24-17)10-9-14-4-3-11-23-14/h3-11H,1-2H3/b10-9-.
What are the key properties of 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline?
4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline has a molecular weight of 337.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 92946530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).