2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole

C20H19NO2S — CID 71293796

IUPAC2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
SMILESCc1cc2c(cc1Oc1nccs1)CCC(c1ccccc1C)O2
InChIInChI=1S/C20H19NO2S/c1-13-5-3-4-6-16(13)17-8-7-15-12-18(14(2)11-19(15)22-17)23-20-21-9-10-24-20/h3-6,9-12,17H,7-8H2,1-2H3
InChIKeyFBPDOWXCUFUTSF-UHFFFAOYSA-N
MW337.44 g/mol
LogP5.62
Rot. Bonds3

About 2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole

2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole (PubChem CID 71293796) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
PubChem CID71293796
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
SMILESCc1cc2c(cc1Oc1nccs1)CCC(c1ccccc1C)O2
InChIInChI=1S/C20H19NO2S/c1-13-5-3-4-6-16(13)17-8-7-15-12-18(14(2)11-19(15)22-17)23-20-21-9-10-24-20/h3-6,9-12,17H,7-8H2,1-2H3
InChIKeyFBPDOWXCUFUTSF-UHFFFAOYSA-N
XLogP5.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The IUPAC name of 2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole (CID 71293796) is 2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole.
What is the SMILES notation for 2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The canonical SMILES for 2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole is Cc1cc2c(cc1Oc1nccs1)CCC(c1ccccc1C)O2.
What is the InChIKey of 2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The InChIKey is FBPDOWXCUFUTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-13-5-3-4-6-16(13)17-8-7-15-12-18(14(2)11-19(15)22-17)23-20-21-9-10-24-20/h3-6,9-12,17H,7-8H2,1-2H3.
What are the key properties of 2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole has a molecular weight of 337.44 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole is sourced from PubChem (CID 71293796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).