N'-(4-chlorophenyl)thiophene-2-carbohydrazide

C11H9ClN2OS — CID 2812576

IUPACN'-(4-chlorophenyl)thiophene-2-carbohydrazide
SMILESO=C(NNc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C11H9ClN2OS/c12-8-3-5-9(6-4-8)13-14-11(15)10-2-1-7-16-10/h1-7,13H,(H,14,15)
InChIKeyKMYIMQWOOQCDCX-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.16
Rot. Bonds3

About N'-(4-chlorophenyl)thiophene-2-carbohydrazide

N'-(4-chlorophenyl)thiophene-2-carbohydrazide (PubChem CID 2812576) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is N'-(4-chlorophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)thiophene-2-carbohydrazide
PubChem CID2812576
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC NameN'-(4-chlorophenyl)thiophene-2-carbohydrazide
SMILESO=C(NNc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C11H9ClN2OS/c12-8-3-5-9(6-4-8)13-14-11(15)10-2-1-7-16-10/h1-7,13H,(H,14,15)
InChIKeyKMYIMQWOOQCDCX-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.16
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 N'-(4-chlorophenyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(4-chlorophenyl)thiophene-2-carbohydrazide (CID 2812576) is N'-(4-chlorophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)thiophene-2-carbohydrazide is O=C(NNc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N'-(4-chlorophenyl)thiophene-2-carbohydrazide?
The InChIKey is KMYIMQWOOQCDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-8-3-5-9(6-4-8)13-14-11(15)10-2-1-7-16-10/h1-7,13H,(H,14,15).
What are the key properties of N'-(4-chlorophenyl)thiophene-2-carbohydrazide?
N'-(4-chlorophenyl)thiophene-2-carbohydrazide has a molecular weight of 252.73 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2812576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).