5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide

C10H16N2O2S — CID 63575070

IUPAC5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
SMILESCC(C)COCc1ccc(C(=O)NN)s1
InChIInChI=1S/C10H16N2O2S/c1-7(2)5-14-6-8-3-4-9(15-8)10(13)12-11/h3-4,7H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyPATFULHZPPGHEZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.52
Rot. Bonds5

About 5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide

5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide (PubChem CID 63575070) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
PubChem CID63575070
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
SMILESCC(C)COCc1ccc(C(=O)NN)s1
InChIInChI=1S/C10H16N2O2S/c1-7(2)5-14-6-8-3-4-9(15-8)10(13)12-11/h3-4,7H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyPATFULHZPPGHEZ-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.52
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-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576843
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63575986
5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576610
5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide
CID 63574396
5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66216952
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743
5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 115496156
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 81267986
5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 63575058
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226
5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 55212226

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide (CID 63575070) is 5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide is CC(C)COCc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide?
The InChIKey is PATFULHZPPGHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(2)5-14-6-8-3-4-9(15-8)10(13)12-11/h3-4,7H,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide?
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide has a molecular weight of 228.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 63575070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).