N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide

C14H11N3O2S — CID 78816665

IUPACN'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2s1)c1ccc[nH]1
InChIInChI=1S/C14H11N3O2S/c18-13(10-5-3-7-15-10)16-17-14(19)12-8-9-4-1-2-6-11(9)20-12/h1-8,15H,(H,16,18)(H,17,19)
InChIKeyYYIUJCAZADFJOW-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.30
Rot. Bonds2

About N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide

N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 78816665) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide
PubChem CID78816665
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2s1)c1ccc[nH]1
InChIInChI=1S/C14H11N3O2S/c18-13(10-5-3-7-15-10)16-17-14(19)12-8-9-4-1-2-6-11(9)20-12/h1-8,15H,(H,16,18)(H,17,19)
InChIKeyYYIUJCAZADFJOW-UHFFFAOYSA-N
XLogP2.30
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.30
H-Bond Donors ≤ 53
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'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide (CID 78816665) is N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)c1cc2ccccc2s1)c1ccc[nH]1.
What is the InChIKey of N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is YYIUJCAZADFJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13(10-5-3-7-15-10)16-17-14(19)12-8-9-4-1-2-6-11(9)20-12/h1-8,15H,(H,16,18)(H,17,19).
What are the key properties of N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide?
N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 285.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78816665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).