N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide

C10H13ClN2O2S — CID 2442993

IUPACN'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)CCl)sc1C
InChIInChI=1S/C10H13ClN2O2S/c1-3-7-4-8(16-6(7)2)10(15)13-12-9(14)5-11/h4H,3,5H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyORNAVESLKQKKHV-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.62
Rot. Bonds3

About N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide

N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide (PubChem CID 2442993) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide
PubChem CID2442993
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC NameN'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)CCl)sc1C
InChIInChI=1S/C10H13ClN2O2S/c1-3-7-4-8(16-6(7)2)10(15)13-12-9(14)5-11/h4H,3,5H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyORNAVESLKQKKHV-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide (CID 2442993) is N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide is CCc1cc(C(=O)NNC(=O)CCl)sc1C.
What is the InChIKey of N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide?
The InChIKey is ORNAVESLKQKKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-3-7-4-8(16-6(7)2)10(15)13-12-9(14)5-11/h4H,3,5H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide?
N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide has a molecular weight of 260.75 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-4-ethyl-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 2442993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).