2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol

C23H26N2O4S — CID 71292980

IUPAC2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol
SMILESOCCN(CCO)Cc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1
InChIInChI=1S/C23H26N2O4S/c26-12-10-25(11-13-27)16-20-15-24-23(30-20)28-19-7-9-22-18(14-19)6-8-21(29-22)17-4-2-1-3-5-17/h1-5,7,9,14-15,21,26-27H,6,8,10-13,16H2/t21-/m0/s1
InChIKeyIZFXFTFVZOLYPP-NRFANRHFSA-N
MW426.54 g/mol
LogP3.79
Rot. Bonds9

About 2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol

2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol (PubChem CID 71292980) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol
PubChem CID71292980
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol
SMILESOCCN(CCO)Cc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1
InChIInChI=1S/C23H26N2O4S/c26-12-10-25(11-13-27)16-20-15-24-23(30-20)28-19-7-9-22-18(14-19)6-8-21(29-22)17-4-2-1-3-5-17/h1-5,7,9,14-15,21,26-27H,6,8,10-13,16H2/t21-/m0/s1
InChIKeyIZFXFTFVZOLYPP-NRFANRHFSA-N
XLogP3.79
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol?
The IUPAC name of 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) is 2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol is OCCN(CCO)Cc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1.
What is the InChIKey of 2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol?
The InChIKey is IZFXFTFVZOLYPP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N2O4S/c26-12-10-25(11-13-27)16-20-15-24-23(30-20)28-19-7-9-22-18(14-19)6-8-21(29-22)17-4-2-1-3-5-17/h1-5,7,9,14-15,21,26-27H,6,8,10-13,16H2/t21-/m0/s1.
What are the key properties of 2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol?
2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol has a molecular weight of 426.54 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]amino]ethanol is sourced from PubChem (CID 71292980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).