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

C14H15N5OS — CID 110384965

IUPACN-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCN(C(=O)c1nn2c(C)nnc2s1)c1cccc(C)c1
InChIInChI=1S/C14H15N5OS/c1-4-18(11-7-5-6-9(2)8-11)13(20)12-17-19-10(3)15-16-14(19)21-12/h5-8H,4H2,1-3H3
InChIKeyWCHWINFKXQSXOD-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.47
Rot. Bonds3

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

N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384965) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384965
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCN(C(=O)c1nn2c(C)nnc2s1)c1cccc(C)c1
InChIInChI=1S/C14H15N5OS/c1-4-18(11-7-5-6-9(2)8-11)13(20)12-17-19-10(3)15-16-14(19)21-12/h5-8H,4H2,1-3H3
InChIKeyWCHWINFKXQSXOD-UHFFFAOYSA-N
XLogP2.47
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-3-methyl-N-(3-methylphenyl)-[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-ethyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 110696261
4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 113221701
N-benzyl-N,3-dimethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384800
6-amino-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 55041795
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110865006
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
N-ethyl-3-hydroxy-N-(3-methylphenyl)pyridine-2-carboxamide
CID 61104536

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384965) is N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is CCN(C(=O)c1nn2c(C)nnc2s1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is WCHWINFKXQSXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-4-18(11-7-5-6-9(2)8-11)13(20)12-17-19-10(3)15-16-14(19)21-12/h5-8H,4H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).