[2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C15H12BrN3O3S — CID 4277893

IUPAC[2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O3S/c16-10-1-3-11(4-2-10)17-13(20)9-22-14(21)7-12-8-19-5-6-23-15(19)18-12/h1-6,8H,7,9H2,(H,17,20)
InChIKeyVKLBPUSSLAERMD-UHFFFAOYSA-N
MW394.25 g/mol
LogP2.88
Rot. Bonds5

About [2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 4277893) has the molecular formula C15H12BrN3O3S and a molecular weight of 394.25 g/mol. Its IUPAC name is [2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID4277893
Molecular FormulaC15H12BrN3O3S
Molecular Weight394.25 g/mol
Exact Mass392.98
IUPAC Name[2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O3S/c16-10-1-3-11(4-2-10)17-13(20)9-22-14(21)7-12-8-19-5-6-23-15(19)18-12/h1-6,8H,7,9H2,(H,17,20)
InChIKeyVKLBPUSSLAERMD-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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
Ethyl (7-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
CID 638599
[2-(4-Bromo-2-fluoroanilino)-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 2419742
[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-(5-Chloro-2-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816442
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816468
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816475
[2-(3-Fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816557
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816583
[2-[(2-Fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816773

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 4277893) is [2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is O=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is VKLBPUSSLAERMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3S/c16-10-1-3-11(4-2-10)17-13(20)9-22-14(21)7-12-8-19-5-6-23-15(19)18-12/h1-6,8H,7,9H2,(H,17,20).
What are the key properties of [2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 394.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 4277893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).