[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate

C15H13ClN4O5S2 — CID 166435468

IUPAC[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCC(OC(=O)c1c(Cl)nc2sccn12)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H13ClN4O5S2/c1-8(13(21)18-9-3-2-4-10(7-9)27(17,23)24)25-14(22)11-12(16)19-15-20(11)5-6-26-15/h2-8H,1H3,(H,18,21)(H2,17,23,24)
InChIKeyZLOVVMIRRSXSRD-UHFFFAOYSA-N
MW428.88 g/mol
LogP1.88
Rot. Bonds5

About [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate

[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 166435468) has the molecular formula C15H13ClN4O5S2 and a molecular weight of 428.88 g/mol. Its IUPAC name is [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID166435468
Molecular FormulaC15H13ClN4O5S2
Molecular Weight428.88 g/mol
Exact Mass428.00
IUPAC Name[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCC(OC(=O)c1c(Cl)nc2sccn12)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H13ClN4O5S2/c1-8(13(21)18-9-3-2-4-10(7-9)27(17,23)24)25-14(22)11-12(16)19-15-20(11)5-6-26-15/h2-8H,1H3,(H,18,21)(H2,17,23,24)
InChIKeyZLOVVMIRRSXSRD-UHFFFAOYSA-N
XLogP1.88
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 8578437
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 8948499
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55419689
[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8957045
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate
CID 55416915
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-(dimethylamino)benzoate
CID 46619536
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 5-bromo-2-hydroxybenzoate
CID 46629383
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 46623429
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 55422080
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 8942718
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 8942720
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55449590

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 166435468) is [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate is CC(OC(=O)c1c(Cl)nc2sccn12)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is ZLOVVMIRRSXSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O5S2/c1-8(13(21)18-9-3-2-4-10(7-9)27(17,23)24)25-14(22)11-12(16)19-15-20(11)5-6-26-15/h2-8H,1H3,(H,18,21)(H2,17,23,24).
What are the key properties of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 428.88 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 166435468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).