1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one

C12H9BrFNOS — CID 116890267

IUPAC1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C12H9BrFNOS/c1-7(16)4-9-6-17-12(15-9)10-5-8(13)2-3-11(10)14/h2-3,5-6H,4H2,1H3
InChIKeyGZZQBHBDDHPZRP-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.84
Rot. Bonds3

About 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one

1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one (PubChem CID 116890267) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
PubChem CID116890267
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C12H9BrFNOS/c1-7(16)4-9-6-17-12(15-9)10-5-8(13)2-3-11(10)14/h2-3,5-6H,4H2,1H3
InChIKeyGZZQBHBDDHPZRP-UHFFFAOYSA-N
XLogP3.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890262
2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116889010
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888202
2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
CID 116889834
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-2-chloroethanone
CID 114893721
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
1-[2-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890244
2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
1-(5-bromo-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79742726
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 114906976
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 82810054

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one (CID 116890267) is 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one is CC(=O)Cc1csc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The InChIKey is GZZQBHBDDHPZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c1-7(16)4-9-6-17-12(15-9)10-5-8(13)2-3-11(10)14/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one has a molecular weight of 314.18 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one is sourced from PubChem (CID 116890267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).