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

C18H13F2NO2S — CID 58541250

IUPAC1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)Cc1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2NO2S/c19-15-6-5-14(11-16(15)20)23-17-4-2-1-3-12(17)9-13(22)10-18-21-7-8-24-18/h1-8,11H,9-10H2
InChIKeyVZHUJNBRCHUUDE-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.57
Rot. Bonds6

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

1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541250) has the molecular formula C18H13F2NO2S and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541250
Molecular FormulaC18H13F2NO2S
Molecular Weight345.37 g/mol
Exact Mass345.06
IUPAC Name1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)Cc1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2NO2S/c19-15-6-5-14(11-16(15)20)23-17-4-2-1-3-12(17)9-13(22)10-18-21-7-8-24-18/h1-8,11H,9-10H2
InChIKeyVZHUJNBRCHUUDE-UHFFFAOYSA-N
XLogP4.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541326
1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541218
3-[2-(3,4-difluorophenoxy)phenyl]propan-1-ol
CID 53434345
3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine
CID 53434344
1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541459
ethyl 2-(3,4-difluorophenoxy)benzoate
CID 175272248
2-[2-[2-oxo-3-(2-phenoxyphenyl)propyl]-1,3-thiazol-4-yl]acetic acid
CID 58541221
2-[2-[(3,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 115460701
1-[2-fluoro-4-[6-isocyano-7-[(1-methylpiperidin-3-yl)methoxy]quinolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58272166
1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one
CID 22998022
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
1-[4-methyl-2-(3-methylbut-2-enoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541250) is 1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is O=C(Cc1nccs1)Cc1ccccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is VZHUJNBRCHUUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO2S/c19-15-6-5-14(11-16(15)20)23-17-4-2-1-3-12(17)9-13(22)10-18-21-7-8-24-18/h1-8,11H,9-10H2.
What are the key properties of 1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 345.37 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).