4-ethyl-5-methylthiophene-3-carbohydrazide

C8H12N2OS — CID 3382598

IUPAC4-ethyl-5-methylthiophene-3-carbohydrazide
SMILESCCc1c(C(=O)NN)csc1C
InChIInChI=1S/C8H12N2OS/c1-3-6-5(2)12-4-7(6)8(11)10-9/h4H,3,9H2,1-2H3,(H,10,11)
InChIKeyHVRJAJATAXTZAE-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.22
Rot. Bonds2

About 4-ethyl-5-methylthiophene-3-carbohydrazide

4-ethyl-5-methylthiophene-3-carbohydrazide (PubChem CID 3382598) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-ethyl-5-methylthiophene-3-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-5-methylthiophene-3-carbohydrazide
PubChem CID3382598
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-ethyl-5-methylthiophene-3-carbohydrazide
SMILESCCc1c(C(=O)NN)csc1C
InChIInChI=1S/C8H12N2OS/c1-3-6-5(2)12-4-7(6)8(11)10-9/h4H,3,9H2,1-2H3,(H,10,11)
InChIKeyHVRJAJATAXTZAE-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methylthiophene-3-carbohydrazide?
The IUPAC name of 4-ethyl-5-methylthiophene-3-carbohydrazide (CID 3382598) is 4-ethyl-5-methylthiophene-3-carbohydrazide.
What is the SMILES notation for 4-ethyl-5-methylthiophene-3-carbohydrazide?
The canonical SMILES for 4-ethyl-5-methylthiophene-3-carbohydrazide is CCc1c(C(=O)NN)csc1C.
What is the InChIKey of 4-ethyl-5-methylthiophene-3-carbohydrazide?
The InChIKey is HVRJAJATAXTZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-6-5(2)12-4-7(6)8(11)10-9/h4H,3,9H2,1-2H3,(H,10,11).
What are the key properties of 4-ethyl-5-methylthiophene-3-carbohydrazide?
4-ethyl-5-methylthiophene-3-carbohydrazide has a molecular weight of 184.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylthiophene-3-carbohydrazide is sourced from PubChem (CID 3382598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).