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

C14H16FNO2S — CID 55189018

IUPAC(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol
SMILESCCc1nc(COc2cc(F)ccc2[C@H](C)O)cs1
InChIInChI=1S/C14H16FNO2S/c1-3-14-16-11(8-19-14)7-18-13-6-10(15)4-5-12(13)9(2)17/h4-6,8-9,17H,3,7H2,1-2H3/t9-/m0/s1
InChIKeyDAVCILTUFXTWPZ-VIFPVBQESA-N
MW281.35 g/mol
LogP3.48
Rot. Bonds5

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

(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol (PubChem CID 55189018) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol
PubChem CID55189018
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol
SMILESCCc1nc(COc2cc(F)ccc2[C@H](C)O)cs1
InChIInChI=1S/C14H16FNO2S/c1-3-14-16-11(8-19-14)7-18-13-6-10(15)4-5-12(13)9(2)17/h4-6,8-9,17H,3,7H2,1-2H3/t9-/m0/s1
InChIKeyDAVCILTUFXTWPZ-VIFPVBQESA-N
XLogP3.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol with MolForge

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Related Compounds

[4-(4-Fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol
CID 49790936
2-[2-(4-Methylphenoxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 4980640
(3,4-Difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 46942776
(3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
CID 46942524
(3,4-Difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 46948455
[4-(4-Fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol
CID 46948550
(4-Fluoro-3-methoxyphenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 49778120
[4-(4-Fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol
CID 49789807
(4-fluoro-3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
CID 49790574
[4-(4-Fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol
CID 49792422
[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol
CID 49795259
(4-Fluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 49790040

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol (CID 55189018) is (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol is CCc1nc(COc2cc(F)ccc2[C@H](C)O)cs1.
What is the InChIKey of (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol?
The InChIKey is DAVCILTUFXTWPZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-3-14-16-11(8-19-14)7-18-13-6-10(15)4-5-12(13)9(2)17/h4-6,8-9,17H,3,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol?
(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol has a molecular weight of 281.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-fluorophenyl]ethanol is sourced from PubChem (CID 55189018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).