5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide

C16H11FN2O3S — CID 9428023

IUPAC5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C16H11FN2O3S/c17-11-5-2-1-4-10(11)12-7-8-13(22-12)15(20)18-19-16(21)14-6-3-9-23-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyATYZTZYPECKZIR-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.22
Rot. Bonds3

About 5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide

5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide (PubChem CID 9428023) has the molecular formula C16H11FN2O3S and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
PubChem CID9428023
Molecular FormulaC16H11FN2O3S
Molecular Weight330.34 g/mol
Exact Mass330.05
IUPAC Name5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C16H11FN2O3S/c17-11-5-2-1-4-10(11)12-7-8-13(22-12)15(20)18-19-16(21)14-6-3-9-23-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyATYZTZYPECKZIR-UHFFFAOYSA-N
XLogP3.22
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
The IUPAC name of 5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide (CID 9428023) is 5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide is O=C(NNC(=O)c1cccs1)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of 5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
The InChIKey is ATYZTZYPECKZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3S/c17-11-5-2-1-4-10(11)12-7-8-13(22-12)15(20)18-19-16(21)14-6-3-9-23-14/h1-9H,(H,18,20)(H,19,21).
What are the key properties of 5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide has a molecular weight of 330.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide is sourced from PubChem (CID 9428023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).