2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone

C11H6BrF2NOS — CID 106266192

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1cncs1
InChIInChI=1S/C11H6BrF2NOS/c12-7-1-2-8(13)6(11(7)14)3-9(16)10-4-15-5-17-10/h1-2,4-5H,3H2
InChIKeyGLOLVYDGVDTMTM-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.61
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone

2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone (PubChem CID 106266192) has the molecular formula C11H6BrF2NOS and a molecular weight of 318.14 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone
PubChem CID106266192
Molecular FormulaC11H6BrF2NOS
Molecular Weight318.14 g/mol
Exact Mass316.93
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1cncs1
InChIInChI=1S/C11H6BrF2NOS/c12-7-1-2-8(13)6(11(7)14)3-9(16)10-4-15-5-17-10/h1-2,4-5H,3H2
InChIKeyGLOLVYDGVDTMTM-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 106267390
2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone
CID 114166217
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 106267638
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
CID 106265929
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
3-(3-bromo-2,6-difluorophenyl)-2-oxopropanoic acid
CID 130874083
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone
CID 106267777
1-amino-3-(3-bromo-2,6-difluorophenyl)propan-2-one
CID 106272455

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone (CID 106266192) is 2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone is O=C(Cc1c(F)ccc(Br)c1F)c1cncs1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone?
The InChIKey is GLOLVYDGVDTMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2NOS/c12-7-1-2-8(13)6(11(7)14)3-9(16)10-4-15-5-17-10/h1-2,4-5H,3H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone has a molecular weight of 318.14 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 106266192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).