3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide

C11H10FN3OS — CID 2110805

IUPAC3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sc(-c2ccc(F)cc2)cc1N
InChIInChI=1S/C11H10FN3OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(17-9)11(16)15-14/h1-5H,13-14H2,(H,15,16)
InChIKeyYZKZAQNIVVQDSB-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.74
Rot. Bonds2

About 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide

3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide (PubChem CID 2110805) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide
PubChem CID2110805
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sc(-c2ccc(F)cc2)cc1N
InChIInChI=1S/C11H10FN3OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(17-9)11(16)15-14/h1-5H,13-14H2,(H,15,16)
InChIKeyYZKZAQNIVVQDSB-UHFFFAOYSA-N
XLogP1.74
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.74
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-(4-fluorophenyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide (CID 2110805) is 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide is NNC(=O)c1sc(-c2ccc(F)cc2)cc1N.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The InChIKey is YZKZAQNIVVQDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(17-9)11(16)15-14/h1-5H,13-14H2,(H,15,16).
What are the key properties of 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide has a molecular weight of 251.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2110805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).