[3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol

C13H14FNOS — CID 90418726

IUPAC[3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol
SMILESCCc1nsc(-c2ccc(C)cc2F)c1CO
InChIInChI=1S/C13H14FNOS/c1-3-12-10(7-16)13(17-15-12)9-5-4-8(2)6-11(9)14/h4-6,16H,3,7H2,1-2H3
InChIKeyFQPGQWLSKZCQNL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.31
Rot. Bonds3

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

[3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol (PubChem CID 90418726) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol
PubChem CID90418726
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name[3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol
SMILESCCc1nsc(-c2ccc(C)cc2F)c1CO
InChIInChI=1S/C13H14FNOS/c1-3-12-10(7-16)13(17-15-12)9-5-4-8(2)6-11(9)14/h4-6,16H,3,7H2,1-2H3
InChIKeyFQPGQWLSKZCQNL-UHFFFAOYSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol (CID 90418726) is [3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol is CCc1nsc(-c2ccc(C)cc2F)c1CO.
What is the InChIKey of [3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is FQPGQWLSKZCQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-3-12-10(7-16)13(17-15-12)9-5-4-8(2)6-11(9)14/h4-6,16H,3,7H2,1-2H3.
What are the key properties of [3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol?
[3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 90418726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).