[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate

C16H13ClN4O4S — CID 8948499

IUPAC[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESC[C@H](OC(=O)c1c(Cl)nc2sccn12)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H13ClN4O4S/c1-9(13(22)19-20-14(23)10-5-3-2-4-6-10)25-15(24)11-12(17)18-16-21(11)7-8-26-16/h2-9H,1H3,(H,19,22)(H,20,23)/t9-/m0/s1
InChIKeyIJWVIJXGHJYMMU-VIFPVBQESA-N
MW392.82 g/mol
LogP2.06
Rot. Bonds4

About [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate

[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 8948499) has the molecular formula C16H13ClN4O4S and a molecular weight of 392.82 g/mol. Its IUPAC name is [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID8948499
Molecular FormulaC16H13ClN4O4S
Molecular Weight392.82 g/mol
Exact Mass392.03
IUPAC Name[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESC[C@H](OC(=O)c1c(Cl)nc2sccn12)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H13ClN4O4S/c1-9(13(22)19-20-14(23)10-5-3-2-4-6-10)25-15(24)11-12(17)18-16-21(11)7-8-26-16/h2-9H,1H3,(H,19,22)(H,20,23)/t9-/m0/s1
InChIKeyIJWVIJXGHJYMMU-VIFPVBQESA-N
XLogP2.06
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 166435468
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 8863407
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 8939932
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 8860466
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 9059282
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate
CID 8956278
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 8871772
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 8864345
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618352
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 8872704
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate
CID 8867848
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 8862579

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 8948499) is [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate is C[C@H](OC(=O)c1c(Cl)nc2sccn12)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is IJWVIJXGHJYMMU-VIFPVBQESA-N. The full InChI is InChI=1S/C16H13ClN4O4S/c1-9(13(22)19-20-14(23)10-5-3-2-4-6-10)25-15(24)11-12(17)18-16-21(11)7-8-26-16/h2-9H,1H3,(H,19,22)(H,20,23)/t9-/m0/s1.
What are the key properties of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 392.82 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 8948499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).