[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine

C11H15BrN4S — CID 105340409

IUPAC[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1csc(Br)c1
InChIInChI=1S/C11H15BrN4S/c1-16-5-4-14-11(16)3-2-9(15-13)8-6-10(12)17-7-8/h4-7,9,15H,2-3,13H2,1H3
InChIKeyYFUVBGCUBKPSLF-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.38
Rot. Bonds5

About [1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine

[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (PubChem CID 105340409) has the molecular formula C11H15BrN4S and a molecular weight of 315.24 g/mol. Its IUPAC name is [1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
PubChem CID105340409
Molecular FormulaC11H15BrN4S
Molecular Weight315.24 g/mol
Exact Mass314.02
IUPAC Name[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1csc(Br)c1
InChIInChI=1S/C11H15BrN4S/c1-16-5-4-14-11(16)3-2-9(15-13)8-6-10(12)17-7-8/h4-7,9,15H,2-3,13H2,1H3
InChIKeyYFUVBGCUBKPSLF-UHFFFAOYSA-N
XLogP2.38
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.38
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

[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340362
[3-(1-methylimidazol-2-yl)-1-(4-methylphenyl)propyl]hydrazine
CID 105194412
[1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340426
[3-(1-methylimidazol-2-yl)-1-(3-methylphenyl)propyl]hydrazine
CID 105200793
[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350
[1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340398
[1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 114025677
[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 105340372
[3-(1-methylimidazol-2-yl)-1-(5-methylpyrimidin-2-yl)propyl]hydrazine
CID 105261604
[3-(1-methylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)propyl]hydrazine
CID 105340302
[3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine
CID 105340288
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
CID 61211107

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The IUPAC name of [1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (CID 105340409) is [1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is Cn1ccnc1CCC(NN)c1csc(Br)c1.
What is the InChIKey of [1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The InChIKey is YFUVBGCUBKPSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4S/c1-16-5-4-14-11(16)3-2-9(15-13)8-6-10(12)17-7-8/h4-7,9,15H,2-3,13H2,1H3.
What are the key properties of [1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine has a molecular weight of 315.24 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is sourced from PubChem (CID 105340409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).