2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole

C18H14FNO2S — CID 71293838

IUPAC2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
SMILESFc1cccc(C2CCc3cc(Oc4nccs4)ccc3O2)c1
InChIInChI=1S/C18H14FNO2S/c19-14-3-1-2-12(10-14)16-6-4-13-11-15(5-7-17(13)22-16)21-18-20-8-9-23-18/h1-3,5,7-11,16H,4,6H2
InChIKeyZAPOLCJOVPGFMP-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.14
Rot. Bonds3

About 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole

2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole (PubChem CID 71293838) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
PubChem CID71293838
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC Name2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
SMILESFc1cccc(C2CCc3cc(Oc4nccs4)ccc3O2)c1
InChIInChI=1S/C18H14FNO2S/c19-14-3-1-2-12(10-14)16-6-4-13-11-15(5-7-17(13)22-16)21-18-20-8-9-23-18/h1-3,5,7-11,16H,4,6H2
InChIKeyZAPOLCJOVPGFMP-UHFFFAOYSA-N
XLogP5.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The IUPAC name of 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole (CID 71293838) is 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The canonical SMILES for 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole is Fc1cccc(C2CCc3cc(Oc4nccs4)ccc3O2)c1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The InChIKey is ZAPOLCJOVPGFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2S/c19-14-3-1-2-12(10-14)16-6-4-13-11-15(5-7-17(13)22-16)21-18-20-8-9-23-18/h1-3,5,7-11,16H,4,6H2.
What are the key properties of 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole has a molecular weight of 327.38 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole is sourced from PubChem (CID 71293838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).