[1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine

C15H18Cl2N2S — CID 105210859

IUPAC[1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
SMILESCCc1ccc(CC(Cc2ccc(Cl)c(Cl)c2)NN)s1
InChIInChI=1S/C15H18Cl2N2S/c1-2-12-4-5-13(20-12)9-11(19-18)7-10-3-6-14(16)15(17)8-10/h3-6,8,11,19H,2,7,9,18H2,1H3
InChIKeyZOXDHUVYHVWWNO-UHFFFAOYSA-N
MW329.30 g/mol
LogP4.23
Rot. Bonds6

About [1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine

[1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine (PubChem CID 105210859) has the molecular formula C15H18Cl2N2S and a molecular weight of 329.30 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
PubChem CID105210859
Molecular FormulaC15H18Cl2N2S
Molecular Weight329.30 g/mol
Exact Mass328.06
IUPAC Name[1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
SMILESCCc1ccc(CC(Cc2ccc(Cl)c(Cl)c2)NN)s1
InChIInChI=1S/C15H18Cl2N2S/c1-2-12-4-5-13(20-12)9-11(19-18)7-10-3-6-14(16)15(17)8-10/h3-6,8,11,19H,2,7,9,18H2,1H3
InChIKeyZOXDHUVYHVWWNO-UHFFFAOYSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine (CID 105210859) is [1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine is CCc1ccc(CC(Cc2ccc(Cl)c(Cl)c2)NN)s1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine?
The InChIKey is ZOXDHUVYHVWWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2S/c1-2-12-4-5-13(20-12)9-11(19-18)7-10-3-6-14(16)15(17)8-10/h3-6,8,11,19H,2,7,9,18H2,1H3.
What are the key properties of [1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine?
[1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine has a molecular weight of 329.30 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105210859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).