N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide

C23H18N6O2S — CID 34299210

IUPACN'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(Cc1cn2ccsc2n1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H18N6O2S/c30-20(13-17-14-28-11-12-32-23(28)24-17)25-26-22(31)19-15-29(18-9-5-2-6-10-18)27-21(19)16-7-3-1-4-8-16/h1-12,14-15H,13H2,(H,25,30)(H,26,31)
InChIKeyYQJVEKZHSXMMNE-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.25
Rot. Bonds5

About N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide

N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 34299210) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID34299210
Molecular FormulaC23H18N6O2S
Molecular Weight442.50 g/mol
Exact Mass442.12
IUPAC NameN'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(Cc1cn2ccsc2n1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H18N6O2S/c30-20(13-17-14-28-11-12-32-23(28)24-17)25-26-22(31)19-15-29(18-9-5-2-6-10-18)27-21(19)16-7-3-1-4-8-16/h1-12,14-15H,13H2,(H,25,30)(H,26,31)
InChIKeyYQJVEKZHSXMMNE-UHFFFAOYSA-N
XLogP3.25
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.25
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

N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
2-(4-chlorophenyl)-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)acetohydrazide
CID 27683802
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide
CID 17411234
N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 2659581
1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide
CID 38003509
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
3-chloro-N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 34299352

Frequently Asked Questions

What is the IUPAC name of N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide (CID 34299210) is N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide is O=C(Cc1cn2ccsc2n1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is YQJVEKZHSXMMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c30-20(13-17-14-28-11-12-32-23(28)24-17)25-26-22(31)19-15-29(18-9-5-2-6-10-18)27-21(19)16-7-3-1-4-8-16/h1-12,14-15H,13H2,(H,25,30)(H,26,31).
What are the key properties of N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide?
N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 442.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 34299210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).