1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol

C13H14FNOS2 — CID 113386054

IUPAC1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol
SMILESCCSc1cccc(F)c1-c1ncc(C(C)O)s1
InChIInChI=1S/C13H14FNOS2/c1-3-17-10-6-4-5-9(14)12(10)13-15-7-11(18-13)8(2)16/h4-8,16H,3H2,1-2H3
InChIKeyLKQDTJLAXBXOBZ-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.11
Rot. Bonds4

About 1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol

1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 113386054) has the molecular formula C13H14FNOS2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol
PubChem CID113386054
Molecular FormulaC13H14FNOS2
Molecular Weight283.39 g/mol
Exact Mass283.05
IUPAC Name1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol
SMILESCCSc1cccc(F)c1-c1ncc(C(C)O)s1
InChIInChI=1S/C13H14FNOS2/c1-3-17-10-6-4-5-9(14)12(10)13-15-7-11(18-13)8(2)16/h4-8,16H,3H2,1-2H3
InChIKeyLKQDTJLAXBXOBZ-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 104838329
N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113386044
1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62653769
[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362037
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 62651773
1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651210
1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 63035079
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651208
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62651174
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404638
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]ethanol
CID 62652128
2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole
CID 106850212

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol (CID 113386054) is 1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol is CCSc1cccc(F)c1-c1ncc(C(C)O)s1.
What is the InChIKey of 1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is LKQDTJLAXBXOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS2/c1-3-17-10-6-4-5-9(14)12(10)13-15-7-11(18-13)8(2)16/h4-8,16H,3H2,1-2H3.
What are the key properties of 1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 283.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 113386054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).