1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one

C18H12F3NO2S — CID 58541173

IUPAC1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one
SMILESO=C(Cc1nccs1)Cc1ccccc1Oc1c(F)cc(F)cc1F
InChIInChI=1S/C18H12F3NO2S/c19-12-8-14(20)18(15(21)9-12)24-16-4-2-1-3-11(16)7-13(23)10-17-22-5-6-25-17/h1-6,8-9H,7,10H2
InChIKeyKZDSBINYGOUKHG-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.71
Rot. Bonds6

About 1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one

1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one (PubChem CID 58541173) has the molecular formula C18H12F3NO2S and a molecular weight of 363.36 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one
PubChem CID58541173
Molecular FormulaC18H12F3NO2S
Molecular Weight363.36 g/mol
Exact Mass363.05
IUPAC Name1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one
SMILESO=C(Cc1nccs1)Cc1ccccc1Oc1c(F)cc(F)cc1F
InChIInChI=1S/C18H12F3NO2S/c19-12-8-14(20)18(15(21)9-12)24-16-4-2-1-3-11(16)7-13(23)10-17-22-5-6-25-17/h1-6,8-9H,7,10H2
InChIKeyKZDSBINYGOUKHG-UHFFFAOYSA-N
XLogP4.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(2,3-Difluoro-6-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225019
3-[3-(2-Propan-2-yloxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225027
3-[3-(3,5-Difluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225028
3-[3-(4-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225029
2-Fluoro-5-(4-(hexyloxy)phenyl)-1-(thiazol-2-yl)pentan-1-one
CID 51042295
3-[3-(2,5-Difluoro-4-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 86299862
3-[3-(2-Fluoro-5-propoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 86302138
3-(1,3-Thiazol-2-yl)-3-[3-[3-(2,2,2-trifluoroethoxy)phenyl]phenyl]propanoic acid
CID 118533536
3-[3-[3-Fluoro-5-(2-methylpropoxy)phenyl]phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 118533537
3-[3-(3-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225034

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one (CID 58541173) is 1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one is O=C(Cc1nccs1)Cc1ccccc1Oc1c(F)cc(F)cc1F.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one?
The InChIKey is KZDSBINYGOUKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2S/c19-12-8-14(20)18(15(21)9-12)24-16-4-2-1-3-11(16)7-13(23)10-17-22-5-6-25-17/h1-6,8-9H,7,10H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one?
1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one has a molecular weight of 363.36 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one is sourced from PubChem (CID 58541173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).