2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide

C18H16N4O2S — CID 46353949

IUPAC2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C18H16N4O2S/c23-15(19-12-11-13-7-3-1-4-8-13)17-21-22-18(25-17)16(24)20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,23)(H,20,24)
InChIKeyUTWUNEGRJPGJDM-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.76
Rot. Bonds6

About 2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide

2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide (PubChem CID 46353949) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
PubChem CID46353949
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C18H16N4O2S/c23-15(19-12-11-13-7-3-1-4-8-13)17-21-22-18(25-17)16(24)20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,23)(H,20,24)
InChIKeyUTWUNEGRJPGJDM-UHFFFAOYSA-N
XLogP2.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-phenyl-5-N-(2-phenylethyl)-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-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46354001
2-N-(3-chlorophenyl)-5-N-(3-phenylpropyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353792
5-N-[3-(4-benzylpiperazin-1-yl)propyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353979
N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46376028
N-(4-methoxyphenyl)-5-[3-oxo-3-(2-phenylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 46354578
5-N-[[4-(dimethylamino)phenyl]methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353997
5-N-[2-[benzyl(methyl)amino]ethyl]-2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353826
5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353927
5-[4-[2-(4-ethoxyphenyl)ethylamino]-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46320347
5-N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353919
5-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46354456
N-(4-fluorophenyl)-5-[(3R)-1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879290

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The IUPAC name of 2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide (CID 46353949) is 2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The canonical SMILES for 2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide is O=C(NCCc1ccccc1)c1nnc(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The InChIKey is UTWUNEGRJPGJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c23-15(19-12-11-13-7-3-1-4-8-13)17-21-22-18(25-17)16(24)20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,23)(H,20,24).
What are the key properties of 2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide is sourced from PubChem (CID 46353949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).