3-amino-5-phenylthiophene-2-carbohydrazide

C11H11N3OS — CID 2117574

IUPAC3-amino-5-phenylthiophene-2-carbohydrazide
SMILESNNC(=O)c1sc(-c2ccccc2)cc1N
InChIInChI=1S/C11H11N3OS/c12-8-6-9(7-4-2-1-3-5-7)16-10(8)11(15)14-13/h1-6H,12-13H2,(H,14,15)
InChIKeyROKLCALOHFBIDA-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.60
Rot. Bonds2

About 3-amino-5-phenylthiophene-2-carbohydrazide

3-amino-5-phenylthiophene-2-carbohydrazide (PubChem CID 2117574) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-amino-5-phenylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-5-phenylthiophene-2-carbohydrazide
PubChem CID2117574
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-amino-5-phenylthiophene-2-carbohydrazide
SMILESNNC(=O)c1sc(-c2ccccc2)cc1N
InChIInChI=1S/C11H11N3OS/c12-8-6-9(7-4-2-1-3-5-7)16-10(8)11(15)14-13/h1-6H,12-13H2,(H,14,15)
InChIKeyROKLCALOHFBIDA-UHFFFAOYSA-N
XLogP1.60
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenylthiophene-2-carbohydrazide?
The IUPAC name of 3-amino-5-phenylthiophene-2-carbohydrazide (CID 2117574) is 3-amino-5-phenylthiophene-2-carbohydrazide.
What is the SMILES notation for 3-amino-5-phenylthiophene-2-carbohydrazide?
The canonical SMILES for 3-amino-5-phenylthiophene-2-carbohydrazide is NNC(=O)c1sc(-c2ccccc2)cc1N.
What is the InChIKey of 3-amino-5-phenylthiophene-2-carbohydrazide?
The InChIKey is ROKLCALOHFBIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-8-6-9(7-4-2-1-3-5-7)16-10(8)11(15)14-13/h1-6H,12-13H2,(H,14,15).
What are the key properties of 3-amino-5-phenylthiophene-2-carbohydrazide?
3-amino-5-phenylthiophene-2-carbohydrazide has a molecular weight of 233.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenylthiophene-2-carbohydrazide is sourced from PubChem (CID 2117574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).