5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide

C20H20ClN5O2S — CID 46353826

IUPAC5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESCN(CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)Cc1ccccc1
InChIInChI=1S/C20H20ClN5O2S/c1-26(13-14-6-3-2-4-7-14)11-10-22-17(27)19-24-25-20(29-19)18(28)23-16-9-5-8-15(21)12-16/h2-9,12H,10-11,13H2,1H3,(H,22,27)(H,23,28)
InChIKeyFMECKEGOYIHPHW-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.31
Rot. Bonds8

About 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide

5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide (PubChem CID 46353826) has the molecular formula C20H20ClN5O2S and a molecular weight of 429.93 g/mol. Its IUPAC name is 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
PubChem CID46353826
Molecular FormulaC20H20ClN5O2S
Molecular Weight429.93 g/mol
Exact Mass429.10
IUPAC Name5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESCN(CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)Cc1ccccc1
InChIInChI=1S/C20H20ClN5O2S/c1-26(13-14-6-3-2-4-7-14)11-10-22-17(27)19-24-25-20(29-19)18(28)23-16-9-5-8-15(21)12-16/h2-9,12H,10-11,13H2,1H3,(H,22,27)(H,23,28)
InChIKeyFMECKEGOYIHPHW-UHFFFAOYSA-N
XLogP3.31
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide 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

2-N-(3-chlorophenyl)-5-N-(3-phenylpropyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353792
N-[3-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 46329798
3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
CID 171154533
2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353949
2-N-(3-chlorophenyl)-5-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353817
6-N-benzyl-6-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097681
6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
5-N-[[4-(dimethylamino)phenyl]methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353997
N-(3-chlorophenyl)-5-[4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butyl]-1,3,4-thiadiazole-2-carboxamide
CID 92868165
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 18124244
N-(3-chlorophenyl)-5-[(pentanoylamino)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099864

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The IUPAC name of 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide (CID 46353826) is 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The canonical SMILES for 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide is CN(CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)Cc1ccccc1.
What is the InChIKey of 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The InChIKey is FMECKEGOYIHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2S/c1-26(13-14-6-3-2-4-7-14)11-10-22-17(27)19-24-25-20(29-19)18(28)23-16-9-5-8-15(21)12-16/h2-9,12H,10-11,13H2,1H3,(H,22,27)(H,23,28).
What are the key properties of 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide has a molecular weight of 429.93 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide is sourced from PubChem (CID 46353826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).