4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

C12H16N4OS — CID 80745244

IUPAC4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ncn(Cc2cc(C(=O)NN)sc2C)c1C
InChIInChI=1S/C12H16N4OS/c1-7-8(2)16(6-14-7)5-10-4-11(12(17)15-13)18-9(10)3/h4,6H,5,13H2,1-3H3,(H,15,17)
InChIKeyWCYQYKMWNQMYDQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.52
Rot. Bonds3

About 4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80745244) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80745244
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ncn(Cc2cc(C(=O)NN)sc2C)c1C
InChIInChI=1S/C12H16N4OS/c1-7-8(2)16(6-14-7)5-10-4-11(12(17)15-13)18-9(10)3/h4,6H,5,13H2,1-3H3,(H,15,17)
InChIKeyWCYQYKMWNQMYDQ-UHFFFAOYSA-N
XLogP1.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80745255
N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728744
5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 80733692
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733660
5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide
CID 80733848
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
N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80729960
2-(4,5-dimethylimidazol-1-yl)acetohydrazide
CID 63577093
4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733693
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-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (CID 80745244) is 4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is Cc1ncn(Cc2cc(C(=O)NN)sc2C)c1C.
What is the InChIKey of 4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is WCYQYKMWNQMYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-8(2)16(6-14-7)5-10-4-11(12(17)15-13)18-9(10)3/h4,6H,5,13H2,1-3H3,(H,15,17).
What are the key properties of 4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 264.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80745244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).