2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide

C22H21N3O2S — CID 43936514

IUPAC2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1
InChIInChI=1S/C22H21N3O2S/c1-3-16-4-10-19(11-5-16)27-15(2)21(26)23-18-8-6-17(7-9-18)20-14-25-12-13-28-22(25)24-20/h4-15H,3H2,1-2H3,(H,23,26)
InChIKeyZZWRNVOYZJJVDE-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.03
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide

2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (PubChem CID 43936514) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
PubChem CID43936514
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1
InChIInChI=1S/C22H21N3O2S/c1-3-16-4-10-19(11-5-16)27-15(2)21(26)23-18-8-6-17(7-9-18)20-14-25-12-13-28-22(25)24-20/h4-15H,3H2,1-2H3,(H,23,26)
InChIKeyZZWRNVOYZJJVDE-UHFFFAOYSA-N
XLogP5.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-propan-2-yloxybenzamide
CID 4877617
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
CID 42907324
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26175588
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (CID 43936514) is 2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is CCc1ccc(OC(C)C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The InChIKey is ZZWRNVOYZJJVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-3-16-4-10-19(11-5-16)27-15(2)21(26)23-18-8-6-17(7-9-18)20-14-25-12-13-28-22(25)24-20/h4-15H,3H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide has a molecular weight of 391.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is sourced from PubChem (CID 43936514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).