4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

C12H16N4O2S — CID 80745255

IUPAC4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCn1ccn(Cc2cc(C(=O)NN)sc2C)c1=O
InChIInChI=1S/C12H16N4O2S/c1-3-15-4-5-16(12(15)18)7-9-6-10(11(17)14-13)19-8(9)2/h4-6H,3,7,13H2,1-2H3,(H,14,17)
InChIKeyPGIAEBMVTOVQJR-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.69
Rot. Bonds4

About 4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80745255) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80745255
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCn1ccn(Cc2cc(C(=O)NN)sc2C)c1=O
InChIInChI=1S/C12H16N4O2S/c1-3-15-4-5-16(12(15)18)7-9-6-10(11(17)14-13)19-8(9)2/h4-6H,3,7,13H2,1-2H3,(H,14,17)
InChIKeyPGIAEBMVTOVQJR-UHFFFAOYSA-N
XLogP0.69
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733693
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733660
4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80745244
5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide
CID 80733848
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734097
5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 80733692
5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106549176
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713
5-methyl-4-[(2-oxoazocan-1-yl)methyl]thiophene-2-carbohydrazide
CID 80734427
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80721705
5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 114540697

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (CID 80745255) is 4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is CCn1ccn(Cc2cc(C(=O)NN)sc2C)c1=O.
What is the InChIKey of 4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is PGIAEBMVTOVQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-15-4-5-16(12(15)18)7-9-6-10(11(17)14-13)19-8(9)2/h4-6H,3,7,13H2,1-2H3,(H,14,17).
What are the key properties of 4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 280.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80745255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).