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

C17H15N3O3S — CID 4560658

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(Cc1cn2ccsc2n1)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O3S/c21-15(20-6-5-12-3-1-2-4-14(12)20)11-23-16(22)9-13-10-19-7-8-24-17(19)18-13/h1-4,7-8,10H,5-6,9,11H2
InChIKeyVWPWRZVBNWFOGK-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.07
Rot. Bonds4

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 4560658) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID4560658
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(Cc1cn2ccsc2n1)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O3S/c21-15(20-6-5-12-3-1-2-4-14(12)20)11-23-16(22)9-13-10-19-7-8-24-17(19)18-13/h1-4,7-8,10H,5-6,9,11H2
InChIKeyVWPWRZVBNWFOGK-UHFFFAOYSA-N
XLogP2.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate with MolForge

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Related Compounds

2-((9-Ethyl-9H-carbazol-3-yl)amino)-2-oxoethyl 2-(imidazo[2,1-b]thiazol-6-yl)acetate
CID 2999806
2-(6-Imidazo[2,1-b]thiazolyl)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester
CID 2998514
(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
CID 24205817
(3E)-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
CID 70684411
3-[(6-Methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
CID 155554087
[2-(4-Carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4007627
[2-(3-Ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4243740
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 5858226
Ethyl (6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetate
CID 339696
[2-(2-Fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 3293079
[2-Oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4464199
[2-[3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 5072734

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 4560658) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is O=C(Cc1cn2ccsc2n1)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is VWPWRZVBNWFOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-15(20-6-5-12-3-1-2-4-14(12)20)11-23-16(22)9-13-10-19-7-8-24-17(19)18-13/h1-4,7-8,10H,5-6,9,11H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 341.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 4560658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).