5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C18H17BrN4OS — CID 112809365

IUPAC5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1nnc(C(=O)Nc2ccccc2)s1)Cc1ccccc1Br
InChIInChI=1S/C18H17BrN4OS/c1-23(11-13-7-5-6-10-15(13)19)12-16-21-22-18(25-16)17(24)20-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyGLHZWFMYNPAMHQ-UHFFFAOYSA-N
MW417.33 g/mol
LogP4.18
Rot. Bonds6

About 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 112809365) has the molecular formula C18H17BrN4OS and a molecular weight of 417.33 g/mol. Its IUPAC name is 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID112809365
Molecular FormulaC18H17BrN4OS
Molecular Weight417.33 g/mol
Exact Mass416.03
IUPAC Name5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1nnc(C(=O)Nc2ccccc2)s1)Cc1ccccc1Br
InChIInChI=1S/C18H17BrN4OS/c1-23(11-13-7-5-6-10-15(13)19)12-16-21-22-18(25-16)17(24)20-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyGLHZWFMYNPAMHQ-UHFFFAOYSA-N
XLogP4.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-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

N-(4-fluorophenyl)-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 30705127
5-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 112809384
5-[[(2-bromophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606807
5-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 75397280
N-(4-chlorophenyl)-5-[[methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 40873599
N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 40873592
5-[(dibenzylamino)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 52560599
5-[[(4-cyanophenyl)methyl-methylamino]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 86983847
5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 18124244
5-[(benzhydrylamino)methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 112809355
5-[(2-bromophenyl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 36584053
5-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 110019432

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 112809365) is 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is CN(Cc1nnc(C(=O)Nc2ccccc2)s1)Cc1ccccc1Br.
What is the InChIKey of 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GLHZWFMYNPAMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4OS/c1-23(11-13-7-5-6-10-15(13)19)12-16-21-22-18(25-16)17(24)20-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,20,24).
What are the key properties of 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 417.33 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 112809365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).