4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide

C13H20N2O2S — CID 106206575

IUPAC4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1COCCC1CCC1
InChIInChI=1S/C13H20N2O2S/c1-9-11(7-12(18-9)13(16)15-14)8-17-6-5-10-3-2-4-10/h7,10H,2-6,8,14H2,1H3,(H,15,16)
InChIKeyISSHIGLSHPUOCN-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.37
Rot. Bonds6

About 4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide

4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide (PubChem CID 106206575) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide
PubChem CID106206575
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1COCCC1CCC1
InChIInChI=1S/C13H20N2O2S/c1-9-11(7-12(18-9)13(16)15-14)8-17-6-5-10-3-2-4-10/h7,10H,2-6,8,14H2,1H3,(H,15,16)
InChIKeyISSHIGLSHPUOCN-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-ethyl-4-methyl-N'-[4-(2,2,2-trifluoroethoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 24609311
5-(2,2,3,3-Tetrafluoropropoxymethyl)thiophene-2-carbohydrazide
CID 55214378
5-(2,2,2-Trifluoroethoxymethyl)thiophene-2-carbohydrazide
CID 63588344
5-[(2-Fluorophenyl)methoxymethyl]thiophene-2-carbohydrazide
CID 63936588
5-(1,1,1-Trifluoropropan-2-yloxymethyl)thiophene-2-carbohydrazide
CID 66274683
5-Methyl-4-(2,2,2-trifluoroethoxymethyl)thiophene-2-carbohydrazide
CID 80733343
5-Methyl-4-(2,2,3,3,3-pentafluoropropoxymethyl)thiophene-2-carbohydrazide
CID 80733541
5-Methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophene-2-carbohydrazide
CID 80734005
5-Methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)thiophene-2-carbohydrazide
CID 80734081
4-[(2-Fluorophenyl)methoxymethyl]-5-methylthiophene-2-carbohydrazide
CID 80734320
4-(2,2-Difluoroethoxymethyl)-5-methylthiophene-2-carbohydrazide
CID 82009074
5-(2,2-Difluoroethoxymethyl)thiophene-2-carbohydrazide
CID 82010638

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide (CID 106206575) is 4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1COCCC1CCC1.
What is the InChIKey of 4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide?
The InChIKey is ISSHIGLSHPUOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-11(7-12(18-9)13(16)15-14)8-17-6-5-10-3-2-4-10/h7,10H,2-6,8,14H2,1H3,(H,15,16).
What are the key properties of 4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide?
4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide has a molecular weight of 268.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 106206575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).