1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol

C13H14FNO2S — CID 107922799

IUPAC1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCOc1cc(-c2nc(C)c(C(C)O)s2)ccc1F
InChIInChI=1S/C13H14FNO2S/c1-7-12(8(2)16)18-13(15-7)9-4-5-10(14)11(6-9)17-3/h4-6,8,16H,1-3H3
InChIKeyBRWWCGLPAIQVTO-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.32
Rot. Bonds3

About 1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol

1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 107922799) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID107922799
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCOc1cc(-c2nc(C)c(C(C)O)s2)ccc1F
InChIInChI=1S/C13H14FNO2S/c1-7-12(8(2)16)18-13(15-7)9-4-5-10(14)11(6-9)17-3/h4-6,8,16H,1-3H3
InChIKeyBRWWCGLPAIQVTO-UHFFFAOYSA-N
XLogP3.32
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 107922799) is 1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is COc1cc(-c2nc(C)c(C(C)O)s2)ccc1F.
What is the InChIKey of 1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is BRWWCGLPAIQVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-7-12(8(2)16)18-13(15-7)9-4-5-10(14)11(6-9)17-3/h4-6,8,16H,1-3H3.
What are the key properties of 1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 267.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 107922799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).