[5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol

C12H11F3N2O2S — CID 178133251

IUPAC[5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol
SMILESCCOc1ccc(C(F)(F)F)nc1-c1cnc(CO)s1
InChIInChI=1S/C12H11F3N2O2S/c1-2-19-7-3-4-9(12(13,14)15)17-11(7)8-5-16-10(6-18)20-8/h3-5,18H,2,6H2,1H3
InChIKeyZFHNTAWLRAZNOR-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.11
Rot. Bonds4

About [5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol

[5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol (PubChem CID 178133251) has the molecular formula C12H11F3N2O2S and a molecular weight of 304.29 g/mol. Its IUPAC name is [5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol
PubChem CID178133251
Molecular FormulaC12H11F3N2O2S
Molecular Weight304.29 g/mol
Exact Mass304.05
IUPAC Name[5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol
SMILESCCOc1ccc(C(F)(F)F)nc1-c1cnc(CO)s1
InChIInChI=1S/C12H11F3N2O2S/c1-2-19-7-3-4-9(12(13,14)15)17-11(7)8-5-16-10(6-18)20-8/h3-5,18H,2,6H2,1H3
InChIKeyZFHNTAWLRAZNOR-UHFFFAOYSA-N
XLogP3.11
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol (CID 178133251) is [5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol is CCOc1ccc(C(F)(F)F)nc1-c1cnc(CO)s1.
What is the InChIKey of [5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is ZFHNTAWLRAZNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S/c1-2-19-7-3-4-9(12(13,14)15)17-11(7)8-5-16-10(6-18)20-8/h3-5,18H,2,6H2,1H3.
What are the key properties of [5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol?
[5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 304.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 178133251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).