3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide

C13H13ClN2OS — CID 2811984

IUPAC3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide
SMILESCCc1ccccc1NNC(=O)c1sccc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-2-9-5-3-4-6-11(9)15-16-13(17)12-10(14)7-8-18-12/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyBUTHXDCNFWAFEQ-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.72
Rot. Bonds4

About 3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide

3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide (PubChem CID 2811984) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide
PubChem CID2811984
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide
SMILESCCc1ccccc1NNC(=O)c1sccc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-2-9-5-3-4-6-11(9)15-16-13(17)12-10(14)7-8-18-12/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyBUTHXDCNFWAFEQ-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide (CID 2811984) is 3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide is CCc1ccccc1NNC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide?
The InChIKey is BUTHXDCNFWAFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-9-5-3-4-6-11(9)15-16-13(17)12-10(14)7-8-18-12/h3-8,15H,2H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide?
3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide has a molecular weight of 280.78 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2811984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).