[2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C17H17N3O3S — CID 4243740

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESCCc1cccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C17H17N3O3S/c1-2-12-4-3-5-13(8-12)18-15(21)11-23-16(22)9-14-10-20-6-7-24-17(20)19-14/h3-8,10H,2,9,11H2,1H3,(H,18,21)
InChIKeyOUIISOYSNYVCGM-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.68
Rot. Bonds6

About [2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 4243740) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID4243740
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESCCc1cccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C17H17N3O3S/c1-2-12-4-3-5-13(8-12)18-15(21)11-23-16(22)9-14-10-20-6-7-24-17(20)19-14/h3-8,10H,2,9,11H2,1H3,(H,18,21)
InChIKeyOUIISOYSNYVCGM-UHFFFAOYSA-N
XLogP2.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817579
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 3946811
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816809
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4094294
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 55800466
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 23796788
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816656
[2-(1-adamantylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 2999906
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816417
[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 8630914
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818095

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 4243740) is [2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is CCc1cccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is OUIISOYSNYVCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-12-4-3-5-13(8-12)18-15(21)11-23-16(22)9-14-10-20-6-7-24-17(20)19-14/h3-8,10H,2,9,11H2,1H3,(H,18,21).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 343.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 4243740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).