[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine

C13H19FN2S — CID 105255690

IUPAC[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
SMILESCc1ccc(F)cc1C(NN)C1CCCCS1
InChIInChI=1S/C13H19FN2S/c1-9-5-6-10(14)8-11(9)13(16-15)12-4-2-3-7-17-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3
InChIKeyJIVZYHOWWGLBNC-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.92
Rot. Bonds3

About [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine

[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine (PubChem CID 105255690) has the molecular formula C13H19FN2S and a molecular weight of 254.37 g/mol. Its IUPAC name is [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
PubChem CID105255690
Molecular FormulaC13H19FN2S
Molecular Weight254.37 g/mol
Exact Mass254.13
IUPAC Name[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
SMILESCc1ccc(F)cc1C(NN)C1CCCCS1
InChIInChI=1S/C13H19FN2S/c1-9-5-6-10(14)8-11(9)13(16-15)12-4-2-3-7-17-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3
InChIKeyJIVZYHOWWGLBNC-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.92
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'}

Analyze [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255383
[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105255884
[7-bicyclo[4.1.0]heptanyl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302216
[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255377
N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine
CID 80626288
[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302141
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608
[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
(2,5-difluorophenyl)-(thian-2-yl)methanamine
CID 80626352
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964

Frequently Asked Questions

What is the IUPAC name of [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine?
The IUPAC name of [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine (CID 105255690) is [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine?
The canonical SMILES for [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine is Cc1ccc(F)cc1C(NN)C1CCCCS1.
What is the InChIKey of [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine?
The InChIKey is JIVZYHOWWGLBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2S/c1-9-5-6-10(14)8-11(9)13(16-15)12-4-2-3-7-17-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3.
What are the key properties of [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine?
[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine has a molecular weight of 254.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).