N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline

C20H21N5OS — CID 662393

IUPACN,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
SMILESCCN(CC)c1ccc(-c2nn3c(-c4ccccc4OC)nnc3s2)cc1
InChIInChI=1S/C20H21N5OS/c1-4-24(5-2)15-12-10-14(11-13-15)19-23-25-18(21-22-20(25)27-19)16-8-6-7-9-17(16)26-3/h6-13H,4-5H2,1-3H3
InChIKeyGVUJCIMICCVZOK-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.37
Rot. Bonds6

About N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline

N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline (PubChem CID 662393) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
PubChem CID662393
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
SMILESCCN(CC)c1ccc(-c2nn3c(-c4ccccc4OC)nnc3s2)cc1
InChIInChI=1S/C20H21N5OS/c1-4-24(5-2)15-12-10-14(11-13-15)19-23-25-18(21-22-20(25)27-19)16-8-6-7-9-17(16)26-3/h6-13H,4-5H2,1-3H3
InChIKeyGVUJCIMICCVZOK-UHFFFAOYSA-N
XLogP4.37
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
CID 663191
6-Cyclohexyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663299
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[5-(2-methoxy-phenyl)-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 1156487
3-Benzyl-6-(2-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2227035
6-(2-Methoxyphenyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663036
6-(2-Methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 934087
3-(4-Tert-butylphenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663326
4-{2-[5-(2-Methoxy-phenyl)-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-ethyl}-morpholine
CID 647244
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[5-(2-methoxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 648001
6-(4-Methoxybenzyl)-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 667209
Methyl 2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 995895
4-[[5-(2-Methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 2526869

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
The IUPAC name of N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline (CID 662393) is N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline.
What is the SMILES notation for N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
The canonical SMILES for N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline is CCN(CC)c1ccc(-c2nn3c(-c4ccccc4OC)nnc3s2)cc1.
What is the InChIKey of N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
The InChIKey is GVUJCIMICCVZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-4-24(5-2)15-12-10-14(11-13-15)19-23-25-18(21-22-20(25)27-19)16-8-6-7-9-17(16)26-3/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline has a molecular weight of 379.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline is sourced from PubChem (CID 662393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).