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

C10H10N4O3S — CID 79764911

IUPAC[5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C10H10N4O3S/c11-13-10-12-5-7(18-10)6-17-9-4-2-1-3-8(9)14(15)16/h1-5H,6,11H2,(H,12,13)
InChIKeyPEPXHULQIMEWPK-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.92
Rot. Bonds5

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

[5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764911) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is [5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79764911
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name[5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C10H10N4O3S/c11-13-10-12-5-7(18-10)6-17-9-4-2-1-3-8(9)14(15)16/h1-5H,6,11H2,(H,12,13)
InChIKeyPEPXHULQIMEWPK-UHFFFAOYSA-N
XLogP1.92
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.92
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'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79764911) is [5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COc2ccccc2[N+](=O)[O-])s1.
What is the InChIKey of [5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is PEPXHULQIMEWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c11-13-10-12-5-7(18-10)6-17-9-4-2-1-3-8(9)14(15)16/h1-5H,6,11H2,(H,12,13).
What are the key properties of [5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 266.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).