[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C10H9Br2N3OS — CID 79765443

IUPAC[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccc(Br)cc2Br)s1
InChIInChI=1S/C10H9Br2N3OS/c11-6-1-2-9(8(12)3-6)16-5-7-4-14-10(15-13)17-7/h1-4H,5,13H2,(H,14,15)
InChIKeyYUQGJEROURCIDZ-UHFFFAOYSA-N
MW379.08 g/mol
LogP3.53
Rot. Bonds4

About [5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765443) has the molecular formula C10H9Br2N3OS and a molecular weight of 379.08 g/mol. Its IUPAC name is [5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79765443
Molecular FormulaC10H9Br2N3OS
Molecular Weight379.08 g/mol
Exact Mass376.88
IUPAC Name[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccc(Br)cc2Br)s1
InChIInChI=1S/C10H9Br2N3OS/c11-6-1-2-9(8(12)3-6)16-5-7-4-14-10(15-13)17-7/h1-4H,5,13H2,(H,14,15)
InChIKeyYUQGJEROURCIDZ-UHFFFAOYSA-N
XLogP3.53
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.08
LogP ≤ 53.53
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

[5-[(2-bromo-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764417
5-[(2,4-dibromophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774037
[5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765706
[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764788
[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764668
5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774025
[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 107668167
[5-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764794
[5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 116689926
[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765055
[5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764785
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile
CID 107660698

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79765443) is [5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COc2ccc(Br)cc2Br)s1.
What is the InChIKey of [5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is YUQGJEROURCIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3OS/c11-6-1-2-9(8(12)3-6)16-5-7-4-14-10(15-13)17-7/h1-4H,5,13H2,(H,14,15).
What are the key properties of [5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 379.08 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79765443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).