N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide

C17H20N4O2S — CID 53163050

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCc2c(C)nc3sc(C)nn23)c1
InChIInChI=1S/C17H20N4O2S/c1-11-15(21-17(19-11)24-12(2)20-21)10-18-16(22)8-7-13-5-4-6-14(9-13)23-3/h4-6,9H,7-8,10H2,1-3H3,(H,18,22)
InChIKeyFXUGAUDDEDYQIJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.67
Rot. Bonds6

About N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 53163050) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide
PubChem CID53163050
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCc2c(C)nc3sc(C)nn23)c1
InChIInChI=1S/C17H20N4O2S/c1-11-15(21-17(19-11)24-12(2)20-21)10-18-16(22)8-7-13-5-4-6-14(9-13)23-3/h4-6,9H,7-8,10H2,1-3H3,(H,18,22)
InChIKeyFXUGAUDDEDYQIJ-UHFFFAOYSA-N
XLogP2.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide 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

3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110678832
3-(3-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47399076
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110716692
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 118732386
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-methoxybenzenesulfonamide
CID 53163237
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
CID 110785147
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
CID 110645143
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110401282
3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46401457

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide (CID 53163050) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NCc2c(C)nc3sc(C)nn23)c1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is FXUGAUDDEDYQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-15(21-17(19-11)24-12(2)20-21)10-18-16(22)8-7-13-5-4-6-14(9-13)23-3/h4-6,9H,7-8,10H2,1-3H3,(H,18,22).
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 344.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 53163050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).