2-amino-5-phenylthiophene-3-carbohydrazide

C11H11N3OS — CID 736657

IUPAC2-amino-5-phenylthiophene-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccccc2)sc1N
InChIInChI=1S/C11H11N3OS/c12-10-8(11(15)14-13)6-9(16-10)7-4-2-1-3-5-7/h1-6H,12-13H2,(H,14,15)
InChIKeyKYCHQJZDQRLUJQ-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.60
Rot. Bonds2

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

2-amino-5-phenylthiophene-3-carbohydrazide (PubChem CID 736657) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-amino-5-phenylthiophene-3-carbohydrazide.

Molecular Properties

Compound Name2-amino-5-phenylthiophene-3-carbohydrazide
PubChem CID736657
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-amino-5-phenylthiophene-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccccc2)sc1N
InChIInChI=1S/C11H11N3OS/c12-10-8(11(15)14-13)6-9(16-10)7-4-2-1-3-5-7/h1-6H,12-13H2,(H,14,15)
InChIKeyKYCHQJZDQRLUJQ-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 2-amino-5-phenylthiophene-3-carbohydrazide?
The IUPAC name of 2-amino-5-phenylthiophene-3-carbohydrazide (CID 736657) is 2-amino-5-phenylthiophene-3-carbohydrazide.
What is the SMILES notation for 2-amino-5-phenylthiophene-3-carbohydrazide?
The canonical SMILES for 2-amino-5-phenylthiophene-3-carbohydrazide is NNC(=O)c1cc(-c2ccccc2)sc1N.
What is the InChIKey of 2-amino-5-phenylthiophene-3-carbohydrazide?
The InChIKey is KYCHQJZDQRLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-10-8(11(15)14-13)6-9(16-10)7-4-2-1-3-5-7/h1-6H,12-13H2,(H,14,15).
What are the key properties of 2-amino-5-phenylthiophene-3-carbohydrazide?
2-amino-5-phenylthiophene-3-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 2-amino-5-phenylthiophene-3-carbohydrazide is sourced from PubChem (CID 736657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).