[2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine

C13H14Cl2N2OS — CID 105297539

IUPAC[2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
SMILESCOc1ccc(Cl)cc1CC(NN)c1sccc1Cl
InChIInChI=1S/C13H14Cl2N2OS/c1-18-12-3-2-9(14)6-8(12)7-11(17-16)13-10(15)4-5-19-13/h2-6,11,17H,7,16H2,1H3
InChIKeyAQBZCUYKYYFVRQ-UHFFFAOYSA-N
MW317.24 g/mol
LogP3.81
Rot. Bonds5

About [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine

[2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine (PubChem CID 105297539) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
PubChem CID105297539
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name[2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
SMILESCOc1ccc(Cl)cc1CC(NN)c1sccc1Cl
InChIInChI=1S/C13H14Cl2N2OS/c1-18-12-3-2-9(14)6-8(12)7-11(17-16)13-10(15)4-5-19-13/h2-6,11,17H,7,16H2,1H3
InChIKeyAQBZCUYKYYFVRQ-UHFFFAOYSA-N
XLogP3.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 53.81
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 [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine (CID 105297539) is [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine is COc1ccc(Cl)cc1CC(NN)c1sccc1Cl.
What is the InChIKey of [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine?
The InChIKey is AQBZCUYKYYFVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-18-12-3-2-9(14)6-8(12)7-11(17-16)13-10(15)4-5-19-13/h2-6,11,17H,7,16H2,1H3.
What are the key properties of [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine?
[2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine has a molecular weight of 317.24 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105297539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).