[(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine

C12H14FN3S — CID 105335326

IUPAC[(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
SMILESCCc1ccsc1C(NN)c1ccncc1F
InChIInChI=1S/C12H14FN3S/c1-2-8-4-6-17-12(8)11(16-14)9-3-5-15-7-10(9)13/h3-7,11,16H,2,14H2,1H3
InChIKeyNACHHXCWHVXBAA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.40
Rot. Bonds4

About [(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine

[(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine (PubChem CID 105335326) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is [(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
PubChem CID105335326
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name[(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
SMILESCCc1ccsc1C(NN)c1ccncc1F
InChIInChI=1S/C12H14FN3S/c1-2-8-4-6-17-12(8)11(16-14)9-3-5-15-7-10(9)13/h3-7,11,16H,2,14H2,1H3
InChIKeyNACHHXCWHVXBAA-UHFFFAOYSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The IUPAC name of [(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine (CID 105335326) is [(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine is CCc1ccsc1C(NN)c1ccncc1F.
What is the InChIKey of [(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The InChIKey is NACHHXCWHVXBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-2-8-4-6-17-12(8)11(16-14)9-3-5-15-7-10(9)13/h3-7,11,16H,2,14H2,1H3.
What are the key properties of [(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine?
[(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine has a molecular weight of 251.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105335326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).