[1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine

C13H13BrCl2N2S — CID 105209681

IUPAC[1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Br)s1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H13BrCl2N2S/c14-13-5-4-9(19-13)6-8(18-17)7-10-11(15)2-1-3-12(10)16/h1-5,8,18H,6-7,17H2
InChIKeyMBPYJYYLDCFHQW-UHFFFAOYSA-N
MW380.14 g/mol
LogP4.43
Rot. Bonds5

About [1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine

[1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine (PubChem CID 105209681) has the molecular formula C13H13BrCl2N2S and a molecular weight of 380.14 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine
PubChem CID105209681
Molecular FormulaC13H13BrCl2N2S
Molecular Weight380.14 g/mol
Exact Mass377.94
IUPAC Name[1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Br)s1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H13BrCl2N2S/c14-13-5-4-9(19-13)6-8(18-17)7-10-11(15)2-1-3-12(10)16/h1-5,8,18H,6-7,17H2
InChIKeyMBPYJYYLDCFHQW-UHFFFAOYSA-N
XLogP4.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 54.43
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-(5-bromothiophen-2-yl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105210762
[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206828
[1-(5-bromothiophen-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105198819
[1-(2,6-dichlorophenyl)-4-methoxypentan-2-yl]hydrazine
CID 105266951
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
[1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295733
[1-(2-bromophenyl)sulfanyl-3-(5-bromothiophen-2-yl)propan-2-yl]hydrazine
CID 105238033
[1-(2,6-dichlorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105209757
[1-(5-bromothiophen-2-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105295656
1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 115840992
[5-chloro-1-(2,6-dichlorophenyl)pentan-2-yl]hydrazine
CID 105235514
[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
CID 103152068

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine (CID 105209681) is [1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine is NNC(Cc1ccc(Br)s1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine?
The InChIKey is MBPYJYYLDCFHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N2S/c14-13-5-4-9(19-13)6-8(18-17)7-10-11(15)2-1-3-12(10)16/h1-5,8,18H,6-7,17H2.
What are the key properties of [1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine?
[1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine has a molecular weight of 380.14 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105209681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).