N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide

C16H13N3O2S — CID 3811213

IUPACN'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)c1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-15(12-6-2-1-3-7-12)17-18-16(21)14-13(8-11-22-14)19-9-4-5-10-19/h1-11H,(H,17,20)(H,18,21)
InChIKeyDTSWZXLHVNPAFA-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.61
Rot. Bonds3

About N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide

N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide (PubChem CID 3811213) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
PubChem CID3811213
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)c1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-15(12-6-2-1-3-7-12)17-18-16(21)14-13(8-11-22-14)19-9-4-5-10-19/h1-11H,(H,17,20)(H,18,21)
InChIKeyDTSWZXLHVNPAFA-UHFFFAOYSA-N
XLogP2.61
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.61
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'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The IUPAC name of N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide (CID 3811213) is N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide is O=C(NNC(=O)c1sccc1-n1cccc1)c1ccccc1.
What is the InChIKey of N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The InChIKey is DTSWZXLHVNPAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-15(12-6-2-1-3-7-12)17-18-16(21)14-13(8-11-22-14)19-9-4-5-10-19/h1-11H,(H,17,20)(H,18,21).
What are the key properties of N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide has a molecular weight of 311.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-pyrrol-1-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 3811213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).