N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide

C20H22N4OS — CID 3380941

IUPACN-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCc1ccc(Cc2nsc(N(C)CC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-15-8-10-16(11-9-15)12-18-22-20(26-23-18)24(2)14-19(25)21-13-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,21,25)
InChIKeyLSVZFGLJFIPZBY-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.19
Rot. Bonds7

About N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide

N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide (PubChem CID 3380941) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide
PubChem CID3380941
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCc1ccc(Cc2nsc(N(C)CC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-15-8-10-16(11-9-15)12-18-22-20(26-23-18)24(2)14-19(25)21-13-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,21,25)
InChIKeyLSVZFGLJFIPZBY-UHFFFAOYSA-N
XLogP3.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide 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-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(2-methylpropyl)acetamide
CID 5240761
N-benzyl-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanamide
CID 3297445
2-[benzyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(3-methylbutyl)acetamide
CID 3544274
2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]-N-(4-phenylbutan-2-yl)acetamide
CID 3568628
2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7355977
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 3276875
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide
CID 4545934
3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 42778367
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-pentylacetamide
CID 4546088
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 3300151
3-[[(2S)-butan-2-yl]-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(furan-2-ylmethyl)propanamide
CID 7236814

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide?
The IUPAC name of N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide (CID 3380941) is N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide is Cc1ccc(Cc2nsc(N(C)CC(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide?
The InChIKey is LSVZFGLJFIPZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-15-8-10-16(11-9-15)12-18-22-20(26-23-18)24(2)14-19(25)21-13-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,21,25).
What are the key properties of N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide?
N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide is sourced from PubChem (CID 3380941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).