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

C16H14N4O4S — CID 4007627

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C16H14N4O4S/c17-15(23)10-1-3-11(4-2-10)18-13(21)9-24-14(22)7-12-8-20-5-6-25-16(20)19-12/h1-6,8H,7,9H2,(H2,17,23)(H,18,21)
InChIKeyRSABDNJQXJZLTL-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.22
Rot. Bonds6

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

[2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 4007627) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID4007627
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C16H14N4O4S/c17-15(23)10-1-3-11(4-2-10)18-13(21)9-24-14(22)7-12-8-20-5-6-25-16(20)19-12/h1-6,8H,7,9H2,(H2,17,23)(H,18,21)
InChIKeyRSABDNJQXJZLTL-UHFFFAOYSA-N
XLogP1.22
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413510
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 3609396
[2-(3-Ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4243740
[2-(4-Bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4277893
Phenacyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4443563
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4560658
4-(2-(6-Phenylimidazo[2,1-b]thiazol-3-yl)acetamido)benzamide
CID 7522512
N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713367
[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-(4-Acetamido-2-fluorophenyl)-2-oxoethyl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 8182145
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816468

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 4007627) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is NC(=O)c1ccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is RSABDNJQXJZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c17-15(23)10-1-3-11(4-2-10)18-13(21)9-24-14(22)7-12-8-20-5-6-25-16(20)19-12/h1-6,8H,7,9H2,(H2,17,23)(H,18,21).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 358.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 4007627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).