2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone

C12H11FN2O2S — CID 116575667

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2csc(N)n2)cc1F
InChIInChI=1S/C12H11FN2O2S/c1-17-11-3-2-7(4-9(11)13)10(16)5-8-6-18-12(14)15-8/h2-4,6H,5H2,1H3,(H2,14,15)
InChIKeyWSSUCIXQPYRRKH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.30
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 116575667) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID116575667
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2csc(N)n2)cc1F
InChIInChI=1S/C12H11FN2O2S/c1-17-11-3-2-7(4-9(11)13)10(16)5-8-6-18-12(14)15-8/h2-4,6H,5H2,1H3,(H2,14,15)
InChIKeyWSSUCIXQPYRRKH-UHFFFAOYSA-N
XLogP2.30
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-1-(3,5-dimethoxyphenyl)ethanone
CID 116575716
2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone
CID 116575762
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130660
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115800924
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115789396
2-(2-amino-1,3-thiazol-4-yl)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62799641
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone
CID 116575719
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4645789
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 116575667) is 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2csc(N)n2)cc1F.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is WSSUCIXQPYRRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-17-11-3-2-7(4-9(11)13)10(16)5-8-6-18-12(14)15-8/h2-4,6H,5H2,1H3,(H2,14,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 116575667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).