(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol

C12H13NO2S — CID 78931487

IUPAC(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCc1cscn1
InChIInChI=1S/C12H13NO2S/c1-9(14)11-4-2-3-5-12(11)15-6-10-7-16-8-13-10/h2-5,7-9,14H,6H2,1H3/t9-/m0/s1
InChIKeyAQDYTTGQQMIVQF-VIFPVBQESA-N
MW235.31 g/mol
LogP2.78
Rot. Bonds4

About (1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol

(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol (PubChem CID 78931487) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is (1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
PubChem CID78931487
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCc1cscn1
InChIInChI=1S/C12H13NO2S/c1-9(14)11-4-2-3-5-12(11)15-6-10-7-16-8-13-10/h2-5,7-9,14H,6H2,1H3/t9-/m0/s1
InChIKeyAQDYTTGQQMIVQF-VIFPVBQESA-N
XLogP2.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 64764025
(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 55188831
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
1-[5-nitro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 116541977
2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63058001
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
1-(2-propoxyphenyl)ethanol
CID 43503976
1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol
CID 112749404
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79001134
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol (CID 78931487) is (1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol is C[C@H](O)c1ccccc1OCc1cscn1.
What is the InChIKey of (1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
The InChIKey is AQDYTTGQQMIVQF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NO2S/c1-9(14)11-4-2-3-5-12(11)15-6-10-7-16-8-13-10/h2-5,7-9,14H,6H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol has a molecular weight of 235.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 78931487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).