1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide

C11H12N4O2S — CID 166186714

IUPAC1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide
SMILESCn1cnc(C(=O)NNC(=O)Cc2ccsc2)c1
InChIInChI=1S/C11H12N4O2S/c1-15-5-9(12-7-15)11(17)14-13-10(16)4-8-2-3-18-6-8/h2-3,5-7H,4H2,1H3,(H,13,16)(H,14,17)
InChIKeyWYSXXHMGZIQNNM-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.49
Rot. Bonds3

About 1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide

1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide (PubChem CID 166186714) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide
PubChem CID166186714
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide
SMILESCn1cnc(C(=O)NNC(=O)Cc2ccsc2)c1
InChIInChI=1S/C11H12N4O2S/c1-15-5-9(12-7-15)11(17)14-13-10(16)4-8-2-3-18-6-8/h2-3,5-7H,4H2,1H3,(H,13,16)(H,14,17)
InChIKeyWYSXXHMGZIQNNM-UHFFFAOYSA-N
XLogP0.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide
CID 71806154
N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
CID 103859682
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 107971161
(3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone
CID 130509688
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122275410
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269
N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115884675
N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide
CID 99834146

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide?
The IUPAC name of 1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide (CID 166186714) is 1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide is Cn1cnc(C(=O)NNC(=O)Cc2ccsc2)c1.
What is the InChIKey of 1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide?
The InChIKey is WYSXXHMGZIQNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-15-5-9(12-7-15)11(17)14-13-10(16)4-8-2-3-18-6-8/h2-3,5-7H,4H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide?
1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide has a molecular weight of 264.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(2-thiophen-3-ylacetyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 166186714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).