[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine

C14H16BrClN2O2S — CID 105204619

IUPAC[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine
SMILESCOc1cc(C(Cc2sccc2Br)NN)cc(Cl)c1OC
InChIInChI=1S/C14H16BrClN2O2S/c1-19-12-6-8(5-10(16)14(12)20-2)11(18-17)7-13-9(15)3-4-21-13/h3-6,11,18H,7,17H2,1-2H3
InChIKeyVOWIBKOAEAMSQX-UHFFFAOYSA-N
MW391.72 g/mol
LogP3.93
Rot. Bonds6

About [2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine

[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine (PubChem CID 105204619) has the molecular formula C14H16BrClN2O2S and a molecular weight of 391.72 g/mol. Its IUPAC name is [2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine
PubChem CID105204619
Molecular FormulaC14H16BrClN2O2S
Molecular Weight391.72 g/mol
Exact Mass389.98
IUPAC Name[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine
SMILESCOc1cc(C(Cc2sccc2Br)NN)cc(Cl)c1OC
InChIInChI=1S/C14H16BrClN2O2S/c1-19-12-6-8(5-10(16)14(12)20-2)11(18-17)7-13-9(15)3-4-21-13/h3-6,11,18H,7,17H2,1-2H3
InChIKeyVOWIBKOAEAMSQX-UHFFFAOYSA-N
XLogP3.93
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.72
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105299572
[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105204563
[2-(3-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]hydrazine
CID 105299660
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
[2-(3-bromothiophen-2-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200816
[2-(3-bromothiophen-2-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105299564
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 62606656
[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105204631
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
[2-(3-bromothiophen-2-yl)-1-(2,3-dichlorophenyl)ethyl]hydrazine
CID 105299508
2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine
CID 115849041

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine (CID 105204619) is [2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine is COc1cc(C(Cc2sccc2Br)NN)cc(Cl)c1OC.
What is the InChIKey of [2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine?
The InChIKey is VOWIBKOAEAMSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2S/c1-19-12-6-8(5-10(16)14(12)20-2)11(18-17)7-13-9(15)3-4-21-13/h3-6,11,18H,7,17H2,1-2H3.
What are the key properties of [2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine?
[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine has a molecular weight of 391.72 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105204619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).