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

C20H19NO2S — CID 71293696

IUPAC2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
SMILESCCc1ccccc1C1CCc2cc(Oc3nccs3)ccc2O1
InChIInChI=1S/C20H19NO2S/c1-2-14-5-3-4-6-17(14)19-9-7-15-13-16(8-10-18(15)23-19)22-20-21-11-12-24-20/h3-6,8,10-13,19H,2,7,9H2,1H3
InChIKeyBDSJZTXPKQXYPT-UHFFFAOYSA-N
MW337.44 g/mol
LogP5.56
Rot. Bonds4

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

2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole (PubChem CID 71293696) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
PubChem CID71293696
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
SMILESCCc1ccccc1C1CCc2cc(Oc3nccs3)ccc2O1
InChIInChI=1S/C20H19NO2S/c1-2-14-5-3-4-6-17(14)19-9-7-15-13-16(8-10-18(15)23-19)22-20-21-11-12-24-20/h3-6,8,10-13,19H,2,7,9H2,1H3
InChIKeyBDSJZTXPKQXYPT-UHFFFAOYSA-N
XLogP5.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The IUPAC name of 2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole (CID 71293696) is 2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The canonical SMILES for 2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole is CCc1ccccc1C1CCc2cc(Oc3nccs3)ccc2O1.
What is the InChIKey of 2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The InChIKey is BDSJZTXPKQXYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-2-14-5-3-4-6-17(14)19-9-7-15-13-16(8-10-18(15)23-19)22-20-21-11-12-24-20/h3-6,8,10-13,19H,2,7,9H2,1H3.
What are the key properties of 2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole has a molecular weight of 337.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole is sourced from PubChem (CID 71293696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).