2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone

C19H14F3NO2S — CID 22496023

IUPAC2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
SMILESO=C(Cc1ccc(OCc2ccccc2)cc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C19H14F3NO2S/c20-19(21,22)17-12-26-18(23-17)16(24)10-13-6-8-15(9-7-13)25-11-14-4-2-1-3-5-14/h1-9,12H,10-11H2
InChIKeyOWTAHPKVBRHVMK-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.17
Rot. Bonds6

About 2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone

2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 22496023) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
PubChem CID22496023
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC Name2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
SMILESO=C(Cc1ccc(OCc2ccccc2)cc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C19H14F3NO2S/c20-19(21,22)17-12-26-18(23-17)16(24)10-13-6-8-15(9-7-13)25-11-14-4-2-1-3-5-14/h1-9,12H,10-11H2
InChIKeyOWTAHPKVBRHVMK-UHFFFAOYSA-N
XLogP5.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone (CID 22496023) is 2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone is O=C(Cc1ccc(OCc2ccccc2)cc1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is OWTAHPKVBRHVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-19(21,22)17-12-26-18(23-17)16(24)10-13-6-8-15(9-7-13)25-11-14-4-2-1-3-5-14/h1-9,12H,10-11H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 377.39 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 22496023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).