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

C19H19ClN4OS — CID 18124244

IUPAC5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(Cc1ccccc1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H19ClN4OS/c1-2-24(12-14-6-4-3-5-7-14)13-17-22-23-19(26-17)18(25)21-16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,25)
InChIKeyFNDONRMYRLEMAZ-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.47
Rot. Bonds7

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

5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 18124244) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID18124244
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(Cc1ccccc1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H19ClN4OS/c1-2-24(12-14-6-4-3-5-7-14)13-17-22-23-19(26-17)18(25)21-16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,25)
InChIKeyFNDONRMYRLEMAZ-UHFFFAOYSA-N
XLogP4.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-[(dibenzylamino)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 52560599
N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 40873592
N-(4-chlorophenyl)-5-[[methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 40873599
5-[[ethyl(2-hydroxyethyl)amino]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 37099139
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 126770625
5-(chloromethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 39869937
5-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 36933562
5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46444099
5-[(dibenzylamino)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 52713887
5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 112809365
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
N-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
CID 46332586

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 18124244) is 5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide is CCN(Cc1ccccc1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FNDONRMYRLEMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-2-24(12-14-6-4-3-5-7-14)13-17-22-23-19(26-17)18(25)21-16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,25).
What are the key properties of 5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 18124244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).