5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide

C10H16N2O2S — CID 80734538

IUPAC5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1COC(C)C
InChIInChI=1S/C10H16N2O2S/c1-6(2)14-5-8-4-9(10(13)12-11)15-7(8)3/h4,6H,5,11H2,1-3H3,(H,12,13)
InChIKeyJZLNUHJXHYBAMI-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.59
Rot. Bonds4

About 5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide

5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide (PubChem CID 80734538) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide
PubChem CID80734538
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1COC(C)C
InChIInChI=1S/C10H16N2O2S/c1-6(2)14-5-8-4-9(10(13)12-11)15-7(8)3/h4,6H,5,11H2,1-3H3,(H,12,13)
InChIKeyJZLNUHJXHYBAMI-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide
CID 102608464
4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide
CID 80733862
4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733698
4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide
CID 106206575
4-[[4-(2-hydroxyethyl)phenoxy]methyl]-5-methylthiophene-2-carbohydrazide
CID 107710081
4-[(3-bromophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733439
4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 102987730
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide
CID 80734339
4-[(2-cyanophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734004
5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733470
N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80728940
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide (CID 80734538) is 5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1COC(C)C.
What is the InChIKey of 5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide?
The InChIKey is JZLNUHJXHYBAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(2)14-5-8-4-9(10(13)12-11)15-7(8)3/h4,6H,5,11H2,1-3H3,(H,12,13).
What are the key properties of 5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide?
5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide has a molecular weight of 228.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 80734538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).