N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide

C23H23N3O2S — CID 112804713

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide
SMILESCc1cn2c(CN(C)C(=O)COc3ccccc3-c3ccccc3)c(C)nc2s1
InChIInChI=1S/C23H23N3O2S/c1-16-13-26-20(17(2)24-23(26)29-16)14-25(3)22(27)15-28-21-12-8-7-11-19(21)18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3
InChIKeyILYWIBGGUDWGCG-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.72
Rot. Bonds6

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide (PubChem CID 112804713) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide
PubChem CID112804713
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide
SMILESCc1cn2c(CN(C)C(=O)COc3ccccc3-c3ccccc3)c(C)nc2s1
InChIInChI=1S/C23H23N3O2S/c1-16-13-26-20(17(2)24-23(26)29-16)14-25(3)22(27)15-28-21-12-8-7-11-19(21)18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3
InChIKeyILYWIBGGUDWGCG-UHFFFAOYSA-N
XLogP4.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
CID 112804816
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 154762477
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenylphenoxy)acetamide
CID 4786375
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 112804758
2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
CID 71943894
3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide
CID 112804711
1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 75404048
N-[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-(2-phenylphenoxy)acetamide
CID 41013494
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 154736217
4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide
CID 112803432
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
CID 112804733
4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874789

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide (CID 112804713) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide is Cc1cn2c(CN(C)C(=O)COc3ccccc3-c3ccccc3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide?
The InChIKey is ILYWIBGGUDWGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-16-13-26-20(17(2)24-23(26)29-16)14-25(3)22(27)15-28-21-12-8-7-11-19(21)18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide has a molecular weight of 405.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 112804713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).