N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide

C17H20N4OS — CID 53163339

IUPACN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide
SMILESCCc1nn2c(CNC(=O)c3ccc(C)cc3C)c(C)nc2s1
InChIInChI=1S/C17H20N4OS/c1-5-15-20-21-14(12(4)19-17(21)23-15)9-18-16(22)13-7-6-10(2)8-11(13)3/h6-8H,5,9H2,1-4H3,(H,18,22)
InChIKeyZNOZEGDTDDTFNJ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.21
Rot. Bonds4

About N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide

N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide (PubChem CID 53163339) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide
PubChem CID53163339
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide
SMILESCCc1nn2c(CNC(=O)c3ccc(C)cc3C)c(C)nc2s1
InChIInChI=1S/C17H20N4OS/c1-5-15-20-21-14(12(4)19-17(21)23-15)9-18-16(22)13-7-6-10(2)8-11(13)3/h6-8H,5,9H2,1-4H3,(H,18,22)
InChIKeyZNOZEGDTDDTFNJ-UHFFFAOYSA-N
XLogP3.21
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide 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-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide
CID 53163320
2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
CID 53163060
2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
CID 53163361
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide
CID 19329057
N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide
CID 53163379
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide
CID 121134099
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
N-[[4-(bromomethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233714
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
CID 17006948
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide
CID 120653289

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide (CID 53163339) is N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide is CCc1nn2c(CNC(=O)c3ccc(C)cc3C)c(C)nc2s1.
What is the InChIKey of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide?
The InChIKey is ZNOZEGDTDDTFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-5-15-20-21-14(12(4)19-17(21)23-15)9-18-16(22)13-7-6-10(2)8-11(13)3/h6-8H,5,9H2,1-4H3,(H,18,22).
What are the key properties of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide?
N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide has a molecular weight of 328.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 53163339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).