5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole

C10H8BrN3O3S — CID 170429147

IUPAC5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole
SMILESCC(Oc1cc(Br)cnc1[N+](=O)[O-])c1ccns1
InChIInChI=1S/C10H8BrN3O3S/c1-6(9-2-3-13-18-9)17-8-4-7(11)5-12-10(8)14(15)16/h2-6H,1H3
InChIKeyVMASYSBIVRKZRJ-UHFFFAOYSA-N
MW330.16 g/mol
LogP3.35
Rot. Bonds4

About 5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole

5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole (PubChem CID 170429147) has the molecular formula C10H8BrN3O3S and a molecular weight of 330.16 g/mol. Its IUPAC name is 5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole.

Molecular Properties

Compound Name5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole
PubChem CID170429147
Molecular FormulaC10H8BrN3O3S
Molecular Weight330.16 g/mol
Exact Mass328.95
IUPAC Name5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole
SMILESCC(Oc1cc(Br)cnc1[N+](=O)[O-])c1ccns1
InChIInChI=1S/C10H8BrN3O3S/c1-6(9-2-3-13-18-9)17-8-4-7(11)5-12-10(8)14(15)16/h2-6H,1H3
InChIKeyVMASYSBIVRKZRJ-UHFFFAOYSA-N
XLogP3.35
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole?
The IUPAC name of 5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole (CID 170429147) is 5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole.
What is the SMILES notation for 5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole?
The canonical SMILES for 5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole is CC(Oc1cc(Br)cnc1[N+](=O)[O-])c1ccns1.
What is the InChIKey of 5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole?
The InChIKey is VMASYSBIVRKZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3S/c1-6(9-2-3-13-18-9)17-8-4-7(11)5-12-10(8)14(15)16/h2-6H,1H3.
What are the key properties of 5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole?
5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole has a molecular weight of 330.16 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole is sourced from PubChem (CID 170429147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).