5-chloro-N'-cyclohexylthiophene-2-carbohydrazide

C11H15ClN2OS — CID 142738419

IUPAC5-chloro-N'-cyclohexylthiophene-2-carbohydrazide
SMILESO=C(NNC1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c12-10-7-6-9(16-10)11(15)14-13-8-4-2-1-3-5-8/h6-8,13H,1-5H2,(H,14,15)
InChIKeyYKJQUFJVYYJVRN-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.97
Rot. Bonds3

About 5-chloro-N'-cyclohexylthiophene-2-carbohydrazide

5-chloro-N'-cyclohexylthiophene-2-carbohydrazide (PubChem CID 142738419) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 5-chloro-N'-cyclohexylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-cyclohexylthiophene-2-carbohydrazide
PubChem CID142738419
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name5-chloro-N'-cyclohexylthiophene-2-carbohydrazide
SMILESO=C(NNC1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c12-10-7-6-9(16-10)11(15)14-13-8-4-2-1-3-5-8/h6-8,13H,1-5H2,(H,14,15)
InChIKeyYKJQUFJVYYJVRN-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.97
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 5-chloro-N'-cyclohexylthiophene-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-cyclohexylthiophene-2-carbohydrazide (CID 142738419) is 5-chloro-N'-cyclohexylthiophene-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-cyclohexylthiophene-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-cyclohexylthiophene-2-carbohydrazide is O=C(NNC1CCCCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N'-cyclohexylthiophene-2-carbohydrazide?
The InChIKey is YKJQUFJVYYJVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-10-7-6-9(16-10)11(15)14-13-8-4-2-1-3-5-8/h6-8,13H,1-5H2,(H,14,15).
What are the key properties of 5-chloro-N'-cyclohexylthiophene-2-carbohydrazide?
5-chloro-N'-cyclohexylthiophene-2-carbohydrazide has a molecular weight of 258.77 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-cyclohexylthiophene-2-carbohydrazide is sourced from PubChem (CID 142738419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).