(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol

C15H19NO3S — CID 82001873

IUPAC(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
SMILESCCc1nc(COc2cc(OC)ccc2[C@H](C)O)cs1
InChIInChI=1S/C15H19NO3S/c1-4-15-16-11(9-20-15)8-19-14-7-12(18-3)5-6-13(14)10(2)17/h5-7,9-10,17H,4,8H2,1-3H3/t10-/m0/s1
InChIKeyYXYSITCMGAMXNX-JTQLQIEISA-N
MW293.39 g/mol
LogP3.35
Rot. Bonds6

About (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol

(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol (PubChem CID 82001873) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
PubChem CID82001873
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
SMILESCCc1nc(COc2cc(OC)ccc2[C@H](C)O)cs1
InChIInChI=1S/C15H19NO3S/c1-4-15-16-11(9-20-15)8-19-14-7-12(18-3)5-6-13(14)10(2)17/h5-7,9-10,17H,4,8H2,1-3H3/t10-/m0/s1
InChIKeyYXYSITCMGAMXNX-JTQLQIEISA-N
XLogP3.35
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanol
CID 78931623
1-[4-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82001009
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
(1R)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001505
(1S)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001713
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716311
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol (CID 82001873) is (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol is CCc1nc(COc2cc(OC)ccc2[C@H](C)O)cs1.
What is the InChIKey of (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol?
The InChIKey is YXYSITCMGAMXNX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO3S/c1-4-15-16-11(9-20-15)8-19-14-7-12(18-3)5-6-13(14)10(2)17/h5-7,9-10,17H,4,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol?
(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol has a molecular weight of 293.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82001873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).