6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole

C12H8ClN3O3S — CID 16780125

IUPAC6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(OCc2ccccc2Cl)nc2sccn12
InChIInChI=1S/C12H8ClN3O3S/c13-9-4-2-1-3-8(9)7-19-10-11(16(17)18)15-5-6-20-12(15)14-10/h1-6H,7H2
InChIKeyKELLBROTLRHJJE-UHFFFAOYSA-N
MW309.73 g/mol
LogP3.54
Rot. Bonds4

About 6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole

6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 16780125) has the molecular formula C12H8ClN3O3S and a molecular weight of 309.73 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID16780125
Molecular FormulaC12H8ClN3O3S
Molecular Weight309.73 g/mol
Exact Mass309.00
IUPAC Name6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(OCc2ccccc2Cl)nc2sccn12
InChIInChI=1S/C12H8ClN3O3S/c13-9-4-2-1-3-8(9)7-19-10-11(16(17)18)15-5-6-20-12(15)14-10/h1-6H,7H2
InChIKeyKELLBROTLRHJJE-UHFFFAOYSA-N
XLogP3.54
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 53.54
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 6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole (CID 16780125) is 6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(OCc2ccccc2Cl)nc2sccn12.
What is the InChIKey of 6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is KELLBROTLRHJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3S/c13-9-4-2-1-3-8(9)7-19-10-11(16(17)18)15-5-6-20-12(15)14-10/h1-6H,7H2.
What are the key properties of 6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole?
6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 309.73 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 16780125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).