N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C17H19N3O2S — CID 51097716

IUPACN-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCOc1cccc(C(C)NC(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C17H19N3O2S/c1-3-22-15-6-4-5-13(9-15)12(2)18-16(21)10-14-11-20-7-8-23-17(20)19-14/h4-9,11-12H,3,10H2,1-2H3,(H,18,21)
InChIKeyHUMXUXNUEKYGFH-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.21
Rot. Bonds6

About N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 51097716) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID51097716
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCOc1cccc(C(C)NC(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C17H19N3O2S/c1-3-22-15-6-4-5-13(9-15)12(2)18-16(21)10-14-11-20-7-8-23-17(20)19-14/h4-9,11-12H,3,10H2,1-2H3,(H,18,21)
InChIKeyHUMXUXNUEKYGFH-UHFFFAOYSA-N
XLogP3.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 46432216
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 134053660
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25351863
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine
CID 105023564
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818095
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 96568619
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 47932753
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115331304
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 51097716) is N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CCOc1cccc(C(C)NC(=O)Cc2cn3ccsc3n2)c1.
What is the InChIKey of N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is HUMXUXNUEKYGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-22-15-6-4-5-13(9-15)12(2)18-16(21)10-14-11-20-7-8-23-17(20)19-14/h4-9,11-12H,3,10H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 329.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 51097716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).