[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine

C13H19ClFN3S — CID 106446395

IUPAC[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
SMILESCN1CCSCC1C(Cc1cc(F)ccc1Cl)NN
InChIInChI=1S/C13H19ClFN3S/c1-18-4-5-19-8-13(18)12(17-16)7-9-6-10(15)2-3-11(9)14/h2-3,6,12-13,17H,4-5,7-8,16H2,1H3
InChIKeyACGDXCJTOPJLKS-UHFFFAOYSA-N
MW303.83 g/mol
LogP1.90
Rot. Bonds4

About [2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine

[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine (PubChem CID 106446395) has the molecular formula C13H19ClFN3S and a molecular weight of 303.83 g/mol. Its IUPAC name is [2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
PubChem CID106446395
Molecular FormulaC13H19ClFN3S
Molecular Weight303.83 g/mol
Exact Mass303.10
IUPAC Name[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
SMILESCN1CCSCC1C(Cc1cc(F)ccc1Cl)NN
InChIInChI=1S/C13H19ClFN3S/c1-18-4-5-19-8-13(18)12(17-16)7-9-6-10(15)2-3-11(9)14/h2-3,6,12-13,17H,4-5,7-8,16H2,1H3
InChIKeyACGDXCJTOPJLKS-UHFFFAOYSA-N
XLogP1.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 51.90
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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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444833
[2-(2,5-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446251
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446450
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
[2-(4-ethylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446480
[1-(4-methylthiomorpholin-3-yl)-2-phenylethyl]hydrazine
CID 106446350
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444804
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446415
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445370
[2-(2-chloro-5-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 102623435
3-[2-hydrazinyl-2-(4-methylthiomorpholin-3-yl)ethyl]pyridin-2-amine
CID 106446527

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine (CID 106446395) is [2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine is CN1CCSCC1C(Cc1cc(F)ccc1Cl)NN.
What is the InChIKey of [2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
The InChIKey is ACGDXCJTOPJLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN3S/c1-18-4-5-19-8-13(18)12(17-16)7-9-6-10(15)2-3-11(9)14/h2-3,6,12-13,17H,4-5,7-8,16H2,1H3.
What are the key properties of [2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine has a molecular weight of 303.83 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine is sourced from PubChem (CID 106446395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).