4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide

C15H24N2O2S — CID 80733862

IUPAC4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1COC1CC(C)CC(C)C1
InChIInChI=1S/C15H24N2O2S/c1-9-4-10(2)6-13(5-9)19-8-12-7-14(15(18)17-16)20-11(12)3/h7,9-10,13H,4-6,8,16H2,1-3H3,(H,17,18)
InChIKeySAMYZEKHZISXMD-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.00
Rot. Bonds4

About 4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide

4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80733862) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80733862
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1COC1CC(C)CC(C)C1
InChIInChI=1S/C15H24N2O2S/c1-9-4-10(2)6-13(5-9)19-8-12-7-14(15(18)17-16)20-11(12)3/h7,9-10,13H,4-6,8,16H2,1-3H3,(H,17,18)
InChIKeySAMYZEKHZISXMD-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.00
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
5-methyl-4-[(3-methylcyclohexyl)oxymethyl]thiophene-2-carboxylic acid
CID 80730063
5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide
CID 80734538
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713
4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide
CID 106206575
5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 114540697
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-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 102987730
4-[[4-(2-hydroxyethyl)phenoxy]methyl]-5-methylthiophene-2-carbohydrazide
CID 107710081

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide (CID 80733862) is 4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1COC1CC(C)CC(C)C1.
What is the InChIKey of 4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is SAMYZEKHZISXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-9-4-10(2)6-13(5-9)19-8-12-7-14(15(18)17-16)20-11(12)3/h7,9-10,13H,4-6,8,16H2,1-3H3,(H,17,18).
What are the key properties of 4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide?
4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 296.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80733862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).