N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline

C19H19N5OS — CID 11840621

IUPACN,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline
SMILESCc1ccccc1OCc1nn2c(-c3ccc(N(C)C)cc3)nnc2s1
InChIInChI=1S/C19H19N5OS/c1-13-6-4-5-7-16(13)25-12-17-22-24-18(20-21-19(24)26-17)14-8-10-15(11-9-14)23(2)3/h4-11H,12H2,1-3H3
InChIKeyVBTOHPICBWXZDK-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.81
Rot. Bonds5

About N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline

N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline (PubChem CID 11840621) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline
PubChem CID11840621
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline
SMILESCc1ccccc1OCc1nn2c(-c3ccc(N(C)C)cc3)nnc2s1
InChIInChI=1S/C19H19N5OS/c1-13-6-4-5-7-16(13)25-12-17-22-24-18(20-21-19(24)26-17)14-8-10-15(11-9-14)23(2)3/h4-11H,12H2,1-3H3
InChIKeyVBTOHPICBWXZDK-UHFFFAOYSA-N
XLogP3.81
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-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

6-[(2-methylphenoxy)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6493905
6-[(2-chlorophenoxy)methyl]-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313671
3-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163895
3-(3,4-dimethoxyphenyl)-6-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4895078
6-[(2-chlorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313653
6-[(2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4897427
3-(4-tert-butylphenyl)-6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 22332332
4-[6-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
CID 35074450
6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850660
3-(4-fluorophenyl)-6-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313651
3-[(4-chlorophenoxy)methyl]-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100951441
6-(naphthalen-1-yloxymethyl)-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6493912

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline (CID 11840621) is N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline is Cc1ccccc1OCc1nn2c(-c3ccc(N(C)C)cc3)nnc2s1.
What is the InChIKey of N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline?
The InChIKey is VBTOHPICBWXZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-13-6-4-5-7-16(13)25-12-17-22-24-18(20-21-19(24)26-17)14-8-10-15(11-9-14)23(2)3/h4-11H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline?
N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline has a molecular weight of 365.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline is sourced from PubChem (CID 11840621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).