1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea

C7H9BrN2O2S — CID 19780472

IUPAC1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc(Br)s1)N(O)C(N)=O
InChIInChI=1S/C7H9BrN2O2S/c1-4(10(12)7(9)11)5-2-3-6(8)13-5/h2-4,12H,1H3,(H2,9,11)
InChIKeySZKNPLCCQDSQPX-UHFFFAOYSA-N
MW265.13 g/mol
LogP2.34
Rot. Bonds2

About 1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea

1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea (PubChem CID 19780472) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea
PubChem CID19780472
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc(Br)s1)N(O)C(N)=O
InChIInChI=1S/C7H9BrN2O2S/c1-4(10(12)7(9)11)5-2-3-6(8)13-5/h2-4,12H,1H3,(H2,9,11)
InChIKeySZKNPLCCQDSQPX-UHFFFAOYSA-N
XLogP2.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-[1-(5-methylthien-2-yl)ethyl]urea
CID 10798098
N-[1-(2,5-dimethylthien-3-yl)ethyl]-N-hydroxyurea
CID 10680149
N-hydroxy-N-(1-thien-2-ylethyl)urea
CID 10726208
1-Hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea
CID 19813500
1-[4-(5-Bromothiophen-2-yl)but-3-yn-2-yl]-1-hydroxyurea
CID 19422158
1-[[3-(4-Bromophenyl)sulfanylthiophen-2-yl]methyl]-1-hydroxyurea
CID 19780424
1-[1-(4-Bromothiophen-2-yl)ethyl]-1-hydroxyurea
CID 19780432
1-Hydroxy-1-[1-(5-phenylsulfanylthiophen-2-yl)ethyl]urea
CID 19780447
1-[(5-Bromothiophen-2-yl)methyl]-1-hydroxyurea
CID 19780465
1-Hydroxy-1-[(5-propan-2-ylsulfanylthiophen-2-yl)methyl]urea
CID 19780477
N-hydroxy-N-(5-bromothien-2-yl)methyl-N'-methylurea
CID 19780478
1-Hydroxy-1-(thiophen-2-ylmethyl)urea
CID 19780482

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea (CID 19780472) is 1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea is CC(c1ccc(Br)s1)N(O)C(N)=O.
What is the InChIKey of 1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea?
The InChIKey is SZKNPLCCQDSQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-4(10(12)7(9)11)5-2-3-6(8)13-5/h2-4,12H,1H3,(H2,9,11).
What are the key properties of 1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea?
1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea has a molecular weight of 265.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromothiophen-2-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 19780472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).