1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone

C14H14FNO2S — CID 112726596

IUPAC1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone
SMILESCCc1nc(COc2ccc(F)cc2C(C)=O)cs1
InChIInChI=1S/C14H14FNO2S/c1-3-14-16-11(8-19-14)7-18-13-5-4-10(15)6-12(13)9(2)17/h4-6,8H,3,7H2,1-2H3
InChIKeyMYKVFEXVSKDCJB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.63
Rot. Bonds5

About 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone

1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone (PubChem CID 112726596) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone
PubChem CID112726596
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone
SMILESCCc1nc(COc2ccc(F)cc2C(C)=O)cs1
InChIInChI=1S/C14H14FNO2S/c1-3-14-16-11(8-19-14)7-18-13-5-4-10(15)6-12(13)9(2)17/h4-6,8H,3,7H2,1-2H3
InChIKeyMYKVFEXVSKDCJB-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107700884
2-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129
N-[4-[(2-acetyl-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 112819000
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
CID 107701409
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
1-[5-fluoro-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 112787694
3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid
CID 60722313
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 43310246

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone (CID 112726596) is 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone is CCc1nc(COc2ccc(F)cc2C(C)=O)cs1.
What is the InChIKey of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone?
The InChIKey is MYKVFEXVSKDCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-3-14-16-11(8-19-14)7-18-13-5-4-10(15)6-12(13)9(2)17/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone?
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone is sourced from PubChem (CID 112726596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).