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

C18H15NO2S — CID 71293645

IUPAC2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
SMILESc1ccc([C@@H]2CCc3cc(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/t16-/m0/s1
InChIKeyZZONIYPRNGDIQG-INIZCTEOSA-N
MW309.39 g/mol
LogP5.00
Rot. Bonds3

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

2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole (PubChem CID 71293645) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
PubChem CID71293645
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
SMILESc1ccc([C@@H]2CCc3cc(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/t16-/m0/s1
InChIKeyZZONIYPRNGDIQG-INIZCTEOSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The IUPAC name of 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole (CID 71293645) is 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole.
What is the SMILES notation for 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The canonical SMILES for 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole is c1ccc([C@@H]2CCc3cc(Oc4nccs4)ccc3O2)cc1.
What is the InChIKey of 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The InChIKey is ZZONIYPRNGDIQG-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
2-[[(2S)-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-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole is sourced from PubChem (CID 71293645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).