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

C10H9Cl2N3OS — CID 79764788

IUPAC[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C10H9Cl2N3OS/c11-6-1-2-8(12)9(3-6)16-5-7-4-14-10(15-13)17-7/h1-4H,5,13H2,(H,14,15)
InChIKeyBZNBZXSDUPJFFP-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.31
Rot. Bonds4

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

[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764788) has the molecular formula C10H9Cl2N3OS and a molecular weight of 290.18 g/mol. Its IUPAC name is [5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79764788
Molecular FormulaC10H9Cl2N3OS
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C10H9Cl2N3OS/c11-6-1-2-8(12)9(3-6)16-5-7-4-14-10(15-13)17-7/h1-4H,5,13H2,(H,14,15)
InChIKeyBZNBZXSDUPJFFP-UHFFFAOYSA-N
XLogP3.31
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79764788) is [5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of [5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is BZNBZXSDUPJFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3OS/c11-6-1-2-8(12)9(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-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 290.18 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).