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

C18H15NO2S — CID 71293739

IUPAC2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
SMILESc1ccc(C2CCc3cc(Oc4nccs4)ccc3O2)cc1
InChIInChI=1S/C18H15NO2S/c1-2-4-13(5-3-1)16-8-6-14-12-15(7-9-17(14)21-16)20-18-19-10-11-22-18/h1-5,7,9-12,16H,6,8H2
InChIKeyZZONIYPRNGDIQG-UHFFFAOYSA-N
MW309.39 g/mol
LogP5.00
Rot. Bonds3

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

2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole (PubChem CID 71293739) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
PubChem CID71293739
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
SMILESc1ccc(C2CCc3cc(Oc4nccs4)ccc3O2)cc1
InChIInChI=1S/C18H15NO2S/c1-2-4-13(5-3-1)16-8-6-14-12-15(7-9-17(14)21-16)20-18-19-10-11-22-18/h1-5,7,9-12,16H,6,8H2
InChIKeyZZONIYPRNGDIQG-UHFFFAOYSA-N
XLogP5.00
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-Phenyl-chroman-6-yloxy)-thiazol-5-ylmethyl]amine
CID 71292725
4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine
CID 71292749
5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
CID 71292838
2-methoxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]ethanamine
CID 71292839
2-[2-hydroxyethyl-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 71292847
2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 71292892
2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 71292896
3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 71292903
2,2,2-trifluoro-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]ethanamine
CID 71292921
1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
CID 71292929
2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 71292980
(2S,6R)-2,6-dimethyl-4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine
CID 71293055

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The IUPAC name of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole (CID 71293739) is 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole.
What is the SMILES notation for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The canonical SMILES for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole is c1ccc(C2CCc3cc(Oc4nccs4)ccc3O2)cc1.
What is the InChIKey of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The InChIKey is ZZONIYPRNGDIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-2-4-13(5-3-1)16-8-6-14-12-15(7-9-17(14)21-16)20-18-19-10-11-22-18/h1-5,7,9-12,16H,6,8H2.
What are the key properties of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole has a molecular weight of 309.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole is sourced from PubChem (CID 71293739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).