N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C14H15N5OS — CID 110384682

IUPACN-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1nn2cnnc2s1
InChIInChI=1S/C14H15N5OS/c1-3-9-6-5-7-10(4-2)11(9)16-12(20)13-18-19-8-15-17-14(19)21-13/h5-8H,3-4H2,1-2H3,(H,16,20)
InChIKeyHBGZJHZDWRJWHS-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.56
Rot. Bonds4

About N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384682) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384682
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1nn2cnnc2s1
InChIInChI=1S/C14H15N5OS/c1-3-9-6-5-7-10(4-2)11(9)16-12(20)13-18-19-8-15-17-14(19)21-13/h5-8H,3-4H2,1-2H3,(H,16,20)
InChIKeyHBGZJHZDWRJWHS-UHFFFAOYSA-N
XLogP2.56
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide 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

N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385065
N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384693
N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384609
5-acetyl-N-(2,6-diethylphenyl)thiophene-2-carboxamide
CID 18089551
N-(2-ethylphenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384875
N-(2,6-diethylphenyl)-1,2-oxazole-3-carboxamide
CID 110858252
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
N-(2,6-diethylphenyl)-1,3-oxazole-4-carboxamide
CID 110689557
1-(2,6-diethylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065272
2-amino-N-(2,6-diethylphenyl)-1,3-thiazole-4-carboxamide
CID 55115870
N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108511411
N-(2,6-diethylphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62186111

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384682) is N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is CCc1cccc(CC)c1NC(=O)c1nn2cnnc2s1.
What is the InChIKey of N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is HBGZJHZDWRJWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-3-9-6-5-7-10(4-2)11(9)16-12(20)13-18-19-8-15-17-14(19)21-13/h5-8H,3-4H2,1-2H3,(H,16,20).
What are the key properties of N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).