5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole

C10H5BrCl2N2O3S — CID 79763865

IUPAC5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole
SMILESO=[N+]([O-])c1cc(Cl)cc(Br)c1OCc1cnc(Cl)s1
InChIInChI=1S/C10H5BrCl2N2O3S/c11-7-1-5(12)2-8(15(16)17)9(7)18-4-6-3-14-10(13)19-6/h1-3H,4H2
InChIKeyUEVKAHRZSRKVLK-UHFFFAOYSA-N
MW384.04 g/mol
LogP4.70
Rot. Bonds4

About 5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole

5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole (PubChem CID 79763865) has the molecular formula C10H5BrCl2N2O3S and a molecular weight of 384.04 g/mol. Its IUPAC name is 5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole
PubChem CID79763865
Molecular FormulaC10H5BrCl2N2O3S
Molecular Weight384.04 g/mol
Exact Mass381.86
IUPAC Name5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole
SMILESO=[N+]([O-])c1cc(Cl)cc(Br)c1OCc1cnc(Cl)s1
InChIInChI=1S/C10H5BrCl2N2O3S/c11-7-1-5(12)2-8(15(16)17)9(7)18-4-6-3-14-10(13)19-6/h1-3H,4H2
InChIKeyUEVKAHRZSRKVLK-UHFFFAOYSA-N
XLogP4.70
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.04
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole?
The IUPAC name of 5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole (CID 79763865) is 5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole?
The canonical SMILES for 5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole is O=[N+]([O-])c1cc(Cl)cc(Br)c1OCc1cnc(Cl)s1.
What is the InChIKey of 5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole?
The InChIKey is UEVKAHRZSRKVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2O3S/c11-7-1-5(12)2-8(15(16)17)9(7)18-4-6-3-14-10(13)19-6/h1-3H,4H2.
What are the key properties of 5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole?
5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole has a molecular weight of 384.04 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole is sourced from PubChem (CID 79763865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).