5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide

C10H14N2O3S — CID 102608464

IUPAC5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1COC1COC1
InChIInChI=1S/C10H14N2O3S/c1-6-7(3-15-8-4-14-5-8)2-9(16-6)10(13)12-11/h2,8H,3-5,11H2,1H3,(H,12,13)
InChIKeyWUUORNGBCUOFQJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.58
Rot. Bonds4

About 5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide

5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide (PubChem CID 102608464) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide
PubChem CID102608464
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1COC1COC1
InChIInChI=1S/C10H14N2O3S/c1-6-7(3-15-8-4-14-5-8)2-9(16-6)10(13)12-11/h2,8H,3-5,11H2,1H3,(H,12,13)
InChIKeyWUUORNGBCUOFQJ-UHFFFAOYSA-N
XLogP0.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.58
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-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide
CID 80733862
5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide
CID 80734538
4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide
CID 106206575
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713
2-methyl-N-[[5-methyl-4-(oxetan-3-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 102608234
4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733698
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733660
4-[(3-bromophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733439
4-[[4-(2-hydroxyethyl)phenoxy]methyl]-5-methylthiophene-2-carbohydrazide
CID 107710081
4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 102987730
5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 114540697

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide (CID 102608464) is 5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1COC1COC1.
What is the InChIKey of 5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide?
The InChIKey is WUUORNGBCUOFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-7(3-15-8-4-14-5-8)2-9(16-6)10(13)12-11/h2,8H,3-5,11H2,1H3,(H,12,13).
What are the key properties of 5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide?
5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide has a molecular weight of 242.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 102608464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).