4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole

C10H7BrClNOS — CID 79400577

IUPAC4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole
SMILESClc1ccccc1COc1nc(Br)cs1
InChIInChI=1S/C10H7BrClNOS/c11-9-6-15-10(13-9)14-5-7-3-1-2-4-8(7)12/h1-4,6H,5H2
InChIKeyHTNQXTDMTOMAOG-UHFFFAOYSA-N
MW304.60 g/mol
LogP4.14
Rot. Bonds3

About 4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole

4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole (PubChem CID 79400577) has the molecular formula C10H7BrClNOS and a molecular weight of 304.60 g/mol. Its IUPAC name is 4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole
PubChem CID79400577
Molecular FormulaC10H7BrClNOS
Molecular Weight304.60 g/mol
Exact Mass302.91
IUPAC Name4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole
SMILESClc1ccccc1COc1nc(Br)cs1
InChIInChI=1S/C10H7BrClNOS/c11-9-6-15-10(13-9)14-5-7-3-1-2-4-8(7)12/h1-4,6H,5H2
InChIKeyHTNQXTDMTOMAOG-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 4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole (CID 79400577) is 4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole is Clc1ccccc1COc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole?
The InChIKey is HTNQXTDMTOMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNOS/c11-9-6-15-10(13-9)14-5-7-3-1-2-4-8(7)12/h1-4,6H,5H2.
What are the key properties of 4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole?
4-bromo-2-[(2-chlorophenyl)methoxy]-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 4-bromo-2-[(2-chlorophenyl)methoxy]-1,3-thiazole is sourced from PubChem (CID 79400577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).