2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide

C10H14FN3OS — CID 79144231

IUPAC2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide
SMILESCCC(Sc1cc(F)ccc1N)C(=O)NN
InChIInChI=1S/C10H14FN3OS/c1-2-8(10(15)14-13)16-9-5-6(11)3-4-7(9)12/h3-5,8H,2,12-13H2,1H3,(H,14,15)
InChIKeyBPTADRWKPUSIJU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide

2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide (PubChem CID 79144231) has the molecular formula C10H14FN3OS and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide
PubChem CID79144231
Molecular FormulaC10H14FN3OS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide
SMILESCCC(Sc1cc(F)ccc1N)C(=O)NN
InChIInChI=1S/C10H14FN3OS/c1-2-8(10(15)14-13)16-9-5-6(11)3-4-7(9)12/h3-5,8H,2,12-13H2,1H3,(H,14,15)
InChIKeyBPTADRWKPUSIJU-UHFFFAOYSA-N
XLogP1.27
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Nitrophenyl)thio]ethanohydrazide
CID 2807216
Acetic acid, 2-(2H-1,4-benzothiazin-3-yl)hydrazide
CID 3061335
Propanoic acid, 3-(hexylthio)-, 2-phenylhydrazide
CID 3079926
2-(2-Aminophenylthio)acetohydrazide
CID 63582563
2-(2-Amino-5-fluorophenyl)sulfanylacetamide
CID 79147639
(2-Ethylsulfanyl-5-fluorophenyl)hydrazine
CID 117920914
1-(4-Fluoro-2-(methylthio)phenyl)hydrazine
CID 118852854
(2-Ethylsulfonyl-5-fluorophenyl)hydrazine
CID 134538067
N'-(2-ethylsulfanyl-5-fluorophenyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carbohydrazide
CID 134548355
ethane;2,2,2-trifluoro-N'-(4-methylsulfanylphenyl)acetohydrazide
CID 177207586
2-[2-(Hydroxyamino)phenyl]sulfanylacetohydrazide
CID 138857451
3-(2-Nitrophenylthio)propanehydrazide
CID 63582318

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide (CID 79144231) is 2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide is CCC(Sc1cc(F)ccc1N)C(=O)NN.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide?
The InChIKey is BPTADRWKPUSIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3OS/c1-2-8(10(15)14-13)16-9-5-6(11)3-4-7(9)12/h3-5,8H,2,12-13H2,1H3,(H,14,15).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide?
2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide has a molecular weight of 243.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide is sourced from PubChem (CID 79144231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).