2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C15H19ClN4OS — CID 46614779

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)Cc2nnsc2Cl)c(C)c1
InChIInChI=1S/C15H19ClN4OS/c1-9-5-10(2)14(11(3)6-9)17-13(21)8-20(4)7-12-15(16)22-19-18-12/h5-6H,7-8H2,1-4H3,(H,17,21)
InChIKeySSAIUIAINKDALU-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.19
Rot. Bonds5

About 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 46614779) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID46614779
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)Cc2nnsc2Cl)c(C)c1
InChIInChI=1S/C15H19ClN4OS/c1-9-5-10(2)14(11(3)6-9)17-13(21)8-20(4)7-12-15(16)22-19-18-12/h5-6H,7-8H2,1-4H3,(H,17,21)
InChIKeySSAIUIAINKDALU-UHFFFAOYSA-N
XLogP3.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)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-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide
CID 43625562
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9043821
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410713
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 62687923
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
5-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 112809384
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 8748478
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9261630

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 46614779) is 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)Cc2nnsc2Cl)c(C)c1.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is SSAIUIAINKDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-9-5-10(2)14(11(3)6-9)17-13(21)8-20(4)7-12-15(16)22-19-18-12/h5-6H,7-8H2,1-4H3,(H,17,21).
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 338.86 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 46614779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).