4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole

C11H8BrF2NOS — CID 107098783

IUPAC4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2cc(Br)cc(F)c2F)cs1
InChIInChI=1S/C11H8BrF2NOS/c1-6-15-8(5-17-6)4-16-10-3-7(12)2-9(13)11(10)14/h2-3,5H,4H2,1H3
InChIKeyNITSNYPYKFHVMN-UHFFFAOYSA-N
MW320.16 g/mol
LogP4.07
Rot. Bonds3

About 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole

4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole (PubChem CID 107098783) has the molecular formula C11H8BrF2NOS and a molecular weight of 320.16 g/mol. Its IUPAC name is 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
PubChem CID107098783
Molecular FormulaC11H8BrF2NOS
Molecular Weight320.16 g/mol
Exact Mass318.95
IUPAC Name4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2cc(Br)cc(F)c2F)cs1
InChIInChI=1S/C11H8BrF2NOS/c1-6-15-8(5-17-6)4-16-10-3-7(12)2-9(13)11(10)14/h2-3,5H,4H2,1H3
InChIKeyNITSNYPYKFHVMN-UHFFFAOYSA-N
XLogP4.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 107098522
4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107101923
4-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 107691593
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60877933
4-bromo-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]aniline
CID 103009149
[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112619888
2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 107100969
1-[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 62370180
[3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 79888636
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
N-[[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687734

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole (CID 107098783) is 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole is Cc1nc(COc2cc(Br)cc(F)c2F)cs1.
What is the InChIKey of 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole?
The InChIKey is NITSNYPYKFHVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NOS/c1-6-15-8(5-17-6)4-16-10-3-7(12)2-9(13)11(10)14/h2-3,5H,4H2,1H3.
What are the key properties of 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole?
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole has a molecular weight of 320.16 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 107098783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).