5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole

C12H8ClFN2OS — CID 43476148

IUPAC5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole
SMILESFc1cccc(Oc2nc3sccn3c2CCl)c1
InChIInChI=1S/C12H8ClFN2OS/c13-7-10-11(15-12-16(10)4-5-18-12)17-9-3-1-2-8(14)6-9/h1-6H,7H2
InChIKeyBGRAVHPQUQHVEC-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.07
Rot. Bonds3

About 5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole

5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole (PubChem CID 43476148) has the molecular formula C12H8ClFN2OS and a molecular weight of 282.73 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole
PubChem CID43476148
Molecular FormulaC12H8ClFN2OS
Molecular Weight282.73 g/mol
Exact Mass282.00
IUPAC Name5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole
SMILESFc1cccc(Oc2nc3sccn3c2CCl)c1
InChIInChI=1S/C12H8ClFN2OS/c13-7-10-11(15-12-16(10)4-5-18-12)17-9-3-1-2-8(14)6-9/h1-6H,7H2
InChIKeyBGRAVHPQUQHVEC-UHFFFAOYSA-N
XLogP4.07
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole (CID 43476148) is 5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole is Fc1cccc(Oc2nc3sccn3c2CCl)c1.
What is the InChIKey of 5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole?
The InChIKey is BGRAVHPQUQHVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2OS/c13-7-10-11(15-12-16(10)4-5-18-12)17-9-3-1-2-8(14)6-9/h1-6H,7H2.
What are the key properties of 5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole has a molecular weight of 282.73 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 43476148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).