1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

C19H16FNO3S — CID 58541175

IUPAC1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1ccccc1Oc1ccc(F)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C19H16FNO3S/c1-23-17-4-2-3-5-18(17)24-16-7-6-14(20)10-13(16)11-15(22)12-19-21-8-9-25-19/h2-10H,11-12H2,1H3
InChIKeyNBZONPOSKMTWIZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.44
Rot. Bonds7

About 1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541175) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541175
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1ccccc1Oc1ccc(F)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C19H16FNO3S/c1-23-17-4-2-3-5-18(17)24-16-7-6-14(20)10-13(16)11-15(22)12-19-21-8-9-25-19/h2-10H,11-12H2,1H3
InChIKeyNBZONPOSKMTWIZ-UHFFFAOYSA-N
XLogP4.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(5-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225000
3-[3-(2-Fluoro-6-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225018
3-[3-(4-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225029
3-[3-(2,3-Dimethoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225033
2-Fluoro-5-(4-(hexyloxy)phenyl)-1-(thiazol-2-yl)pentan-1-one
CID 51042295
7-(4-Phenylphenoxy)-1-(1,3-thiazol-2-yl)heptan-1-one
CID 44350681
5-(4-Ethoxyphenyl)-2-fluoro-1-(1,3-thiazol-2-yl)pentan-1-one
CID 58297624
1-[2-(2,6-Difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541161
1-[5-(Dimethylamino)-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541166
1-(1,3-Thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one
CID 58541173
1-[5-Fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541180
1-[5-Fluoro-2-(4-fluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541199

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541175) is 1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is COc1ccccc1Oc1ccc(F)cc1CC(=O)Cc1nccs1.
What is the InChIKey of 1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is NBZONPOSKMTWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-23-17-4-2-3-5-18(17)24-16-7-6-14(20)10-13(16)11-15(22)12-19-21-8-9-25-19/h2-10H,11-12H2,1H3.
What are the key properties of 1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 357.41 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).