3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide

C14H16N6OS — CID 110672955

IUPAC3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCc2nn3cnnc3s2)c1
InChIInChI=1S/C14H16N6OS/c1-19(2)11-5-3-4-10(8-11)13(21)15-7-6-12-18-20-9-16-17-14(20)22-12/h3-5,8-9H,6-7H2,1-2H3,(H,15,21)
InChIKeyWTCMGJLKMFLEHM-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.22
Rot. Bonds5

About 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide

3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide (PubChem CID 110672955) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
PubChem CID110672955
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCc2nn3cnnc3s2)c1
InChIInChI=1S/C14H16N6OS/c1-19(2)11-5-3-4-10(8-11)13(21)15-7-6-12-18-20-9-16-17-14(20)22-12/h3-5,8-9H,6-7H2,1-2H3,(H,15,21)
InChIKeyWTCMGJLKMFLEHM-UHFFFAOYSA-N
XLogP1.22
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide 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

3-(dimethylamino)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110746469
4-methoxy-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110401518
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
2-(2-methylphenyl)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]acetamide
CID 110672973
2,4-dichloro-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110401568
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
3-(dimethylamino)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666436
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
3-chloro-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110400922
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
CID 55102085
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 110796046

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide (CID 110672955) is 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide is CN(C)c1cccc(C(=O)NCCc2nn3cnnc3s2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The InChIKey is WTCMGJLKMFLEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-19(2)11-5-3-4-10(8-11)13(21)15-7-6-12-18-20-9-16-17-14(20)22-12/h3-5,8-9H,6-7H2,1-2H3,(H,15,21).
What are the key properties of 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide has a molecular weight of 316.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide is sourced from PubChem (CID 110672955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).