5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C12H11N5O2S — CID 63582424

IUPAC5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Cn2ccnc2-c2cccs2)on1
InChIInChI=1S/C12H11N5O2S/c13-15-12(18)9-6-8(19-16-9)7-17-4-3-14-11(17)10-2-1-5-20-10/h1-6H,7,13H2,(H,15,18)
InChIKeyIWSKBQVGTICPRX-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.25
Rot. Bonds4

About 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63582424) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63582424
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Cn2ccnc2-c2cccs2)on1
InChIInChI=1S/C12H11N5O2S/c13-15-12(18)9-6-8(19-16-9)7-17-4-3-14-11(17)10-2-1-5-20-10/h1-6H,7,13H2,(H,15,18)
InChIKeyIWSKBQVGTICPRX-UHFFFAOYSA-N
XLogP1.25
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 80733692
5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 55212892
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397272
5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115917888
5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 104735539
1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 105409270
5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115918016
1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917901
1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 113353800
N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
CID 113353806
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789

Frequently Asked Questions

What is the IUPAC name of 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 63582424) is 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(Cn2ccnc2-c2cccs2)on1.
What is the InChIKey of 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is IWSKBQVGTICPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c13-15-12(18)9-6-8(19-16-9)7-17-4-3-14-11(17)10-2-1-5-20-10/h1-6H,7,13H2,(H,15,18).
What are the key properties of 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 289.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63582424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).