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

C13H14FNOS — CID 62388785

IUPAC1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(F)cc1-c1nc(C)c(C(C)O)s1
InChIInChI=1S/C13H14FNOS/c1-7-4-5-10(14)6-11(7)13-15-8(2)12(17-13)9(3)16/h4-6,9,16H,1-3H3
InChIKeyHTYSEUSYMIEYKQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.62
Rot. Bonds2

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

1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 62388785) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID62388785
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(F)cc1-c1nc(C)c(C(C)O)s1
InChIInChI=1S/C13H14FNOS/c1-7-4-5-10(14)6-11(7)13-15-8(2)12(17-13)9(3)16/h4-6,9,16H,1-3H3
InChIKeyHTYSEUSYMIEYKQ-UHFFFAOYSA-N
XLogP3.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 62388785) is 1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1ccc(F)cc1-c1nc(C)c(C(C)O)s1.
What is the InChIKey of 1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is HTYSEUSYMIEYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-7-4-5-10(14)6-11(7)13-15-8(2)12(17-13)9(3)16/h4-6,9,16H,1-3H3.
What are the key properties of 1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62388785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).