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

C15H13N5OS — CID 4970267

IUPAC4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1
InChIInChI=1S/C15H13N5OS/c1-19(2)11-7-5-10(6-8-11)13-16-17-15-20(13)18-14(22-15)12-4-3-9-21-12/h3-9H,1-2H3
InChIKeyQYGKWFGOHKBLEU-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.18
Rot. Bonds3

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

4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline (PubChem CID 4970267) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
PubChem CID4970267
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1
InChIInChI=1S/C15H13N5OS/c1-19(2)11-7-5-10(6-8-11)13-16-17-15-20(13)18-14(22-15)12-4-3-9-21-12/h3-9H,1-2H3
InChIKeyQYGKWFGOHKBLEU-UHFFFAOYSA-N
XLogP3.18
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-tert-butylphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936948
3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 655862
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
6-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5311864
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-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4897254
3-(4-chloro-2-fluorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45495364
6-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828104
6-(furan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 667007
3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135915288
6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163955
6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56761383

Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline (CID 4970267) is 4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1.
What is the InChIKey of 4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline?
The InChIKey is QYGKWFGOHKBLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-19(2)11-7-5-10(6-8-11)13-16-17-15-20(13)18-14(22-15)12-4-3-9-21-12/h3-9H,1-2H3.
What are the key properties of 4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline?
4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline has a molecular weight of 311.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 4970267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).