[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine

C13H14BrClN2S — CID 105197753

IUPAC[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C13H14BrClN2S/c14-10-6-13(18-8-10)7-12(17-16)5-9-1-3-11(15)4-2-9/h1-4,6,8,12,17H,5,7,16H2
InChIKeyYMOYWTFKRFSSHZ-UHFFFAOYSA-N
MW345.69 g/mol
LogP3.78
Rot. Bonds5

About [1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine

[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine (PubChem CID 105197753) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is [1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
PubChem CID105197753
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC Name[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C13H14BrClN2S/c14-10-6-13(18-8-10)7-12(17-16)5-9-1-3-11(15)4-2-9/h1-4,6,8,12,17H,5,7,16H2
InChIKeyYMOYWTFKRFSSHZ-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.69
LogP ≤ 53.78
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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Related Compounds

1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
CID 63412914
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
[1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197541
[1-(4-bromothiophen-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105214014
[1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105195489
[1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 103053500
[1-(4-bromothiophen-2-yl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105299395
[1-(4-chlorophenyl)-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105197643
[1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105299404
[1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225472
[1-(4-bromothiophen-2-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105299335
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144182

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine (CID 105197753) is [1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine is NNC(Cc1ccc(Cl)cc1)Cc1cc(Br)cs1.
What is the InChIKey of [1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine?
The InChIKey is YMOYWTFKRFSSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2S/c14-10-6-13(18-8-10)7-12(17-16)5-9-1-3-11(15)4-2-9/h1-4,6,8,12,17H,5,7,16H2.
What are the key properties of [1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine?
[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine has a molecular weight of 345.69 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105197753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).