5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole

C10H7BrClNOS — CID 117188249

IUPAC5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole
SMILESClc1cccc(OCc2ncc(Br)s2)c1
InChIInChI=1S/C10H7BrClNOS/c11-9-5-13-10(15-9)6-14-8-3-1-2-7(12)4-8/h1-5H,6H2
InChIKeyGMWJEHNKSKUGIC-UHFFFAOYSA-N
MW304.60 g/mol
LogP4.14
Rot. Bonds3

About 5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole

5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole (PubChem CID 117188249) has the molecular formula C10H7BrClNOS and a molecular weight of 304.60 g/mol. Its IUPAC name is 5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole
PubChem CID117188249
Molecular FormulaC10H7BrClNOS
Molecular Weight304.60 g/mol
Exact Mass302.91
IUPAC Name5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole
SMILESClc1cccc(OCc2ncc(Br)s2)c1
InChIInChI=1S/C10H7BrClNOS/c11-9-5-13-10(15-9)6-14-8-3-1-2-7(12)4-8/h1-5H,6H2
InChIKeyGMWJEHNKSKUGIC-UHFFFAOYSA-N
XLogP4.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole (CID 117188249) is 5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole is Clc1cccc(OCc2ncc(Br)s2)c1.
What is the InChIKey of 5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole?
The InChIKey is GMWJEHNKSKUGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNOS/c11-9-5-13-10(15-9)6-14-8-3-1-2-7(12)4-8/h1-5H,6H2.
What are the key properties of 5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole?
5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole has a molecular weight of 304.60 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-chlorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 117188249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).