N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide

C16H12FN3O2S — CID 3811376

IUPACN'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2S/c17-12-5-3-11(4-6-12)15(21)18-19-16(22)14-13(7-10-23-14)20-8-1-2-9-20/h1-10H,(H,18,21)(H,19,22)
InChIKeyOUZKYHWZWDOLRB-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.75
Rot. Bonds3

About N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide

N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (PubChem CID 3811376) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
PubChem CID3811376
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC NameN'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2S/c17-12-5-3-11(4-6-12)15(21)18-19-16(22)14-13(7-10-23-14)20-8-1-2-9-20/h1-10H,(H,18,21)(H,19,22)
InChIKeyOUZKYHWZWDOLRB-UHFFFAOYSA-N
XLogP2.75
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.75
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 N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (CID 3811376) is N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is O=C(NNC(=O)c1sccc1-n1cccc1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The InChIKey is OUZKYHWZWDOLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c17-12-5-3-11(4-6-12)15(21)18-19-16(22)14-13(7-10-23-14)20-8-1-2-9-20/h1-10H,(H,18,21)(H,19,22).
What are the key properties of N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide has a molecular weight of 329.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 3811376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).