[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C10H9BrN4O3S — CID 103589477

IUPAC[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2cc(Br)cc([N+](=O)[O-])c2)s1
InChIInChI=1S/C10H9BrN4O3S/c11-6-1-7(15(16)17)3-8(2-6)18-5-9-4-13-10(14-12)19-9/h1-4H,5,12H2,(H,13,14)
InChIKeyKLRRPGGKMFNUKI-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.68
Rot. Bonds5

About [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 103589477) has the molecular formula C10H9BrN4O3S and a molecular weight of 345.18 g/mol. Its IUPAC name is [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID103589477
Molecular FormulaC10H9BrN4O3S
Molecular Weight345.18 g/mol
Exact Mass343.96
IUPAC Name[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2cc(Br)cc([N+](=O)[O-])c2)s1
InChIInChI=1S/C10H9BrN4O3S/c11-6-1-7(15(16)17)3-8(2-6)18-5-9-4-13-10(14-12)19-9/h1-4H,5,12H2,(H,13,14)
InChIKeyKLRRPGGKMFNUKI-UHFFFAOYSA-N
XLogP2.68
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764786
[5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103589476
[5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765434
[5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765704
[5-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764026
[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103589474
5-[(2,6-dibromo-4-nitrophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79761181
1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
CID 142787277
[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765443
2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 103589511
4-[(3-bromo-5-nitrophenoxy)methyl]-5-chlorothiadiazole
CID 103588537
[4-[(3-bromo-5-nitrophenoxy)methyl]phenyl]methanol
CID 103589250

Frequently Asked Questions

What is the IUPAC name of [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 103589477) is [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COc2cc(Br)cc([N+](=O)[O-])c2)s1.
What is the InChIKey of [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is KLRRPGGKMFNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O3S/c11-6-1-7(15(16)17)3-8(2-6)18-5-9-4-13-10(14-12)19-9/h1-4H,5,12H2,(H,13,14).
What are the key properties of [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 345.18 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 103589477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).