[1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine

C13H19FN2S — CID 105284174

IUPAC[1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine
SMILESNNC(CC1CCSCC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2S/c14-12-3-1-11(2-4-12)13(16-15)9-10-5-7-17-8-6-10/h1-4,10,13,16H,5-9,15H2
InChIKeyGYORPBNOEOABKG-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.86
Rot. Bonds4

About [1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine

[1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine (PubChem CID 105284174) has the molecular formula C13H19FN2S and a molecular weight of 254.37 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine
PubChem CID105284174
Molecular FormulaC13H19FN2S
Molecular Weight254.37 g/mol
Exact Mass254.13
IUPAC Name[1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine
SMILESNNC(CC1CCSCC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2S/c14-12-3-1-11(2-4-12)13(16-15)9-10-5-7-17-8-6-10/h1-4,10,13,16H,5-9,15H2
InChIKeyGYORPBNOEOABKG-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-ethylphenyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105326402
[1-(4-chlorophenyl)-2-cyclopropylethyl]hydrazine
CID 105193196
[2-cyclopropyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105196978
[2-cyclobutyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105207885
N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105092320
[2-cycloheptyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105301798
[2-cyclopropyl-1-(4-ethylphenyl)ethyl]hydrazine
CID 105197252
[2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea
CID 18507861
[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea
CID 87838360
[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105327985
N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854
[1-(1-propylpyrazol-4-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105288638

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine (CID 105284174) is [1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine is NNC(CC1CCSCC1)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine?
The InChIKey is GYORPBNOEOABKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2S/c14-12-3-1-11(2-4-12)13(16-15)9-10-5-7-17-8-6-10/h1-4,10,13,16H,5-9,15H2.
What are the key properties of [1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine?
[1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine has a molecular weight of 254.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105284174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).