1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol

C16H13FN2OS — CID 71544125

IUPAC1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol
SMILESCC(O)(c1ccncc1)c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H13FN2OS/c1-16(20,12-6-8-18-9-7-12)15-19-10-14(21-15)11-2-4-13(17)5-3-11/h2-10,20H,1H3
InChIKeyWMYLAXPBQWEIKN-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.60
Rot. Bonds3

About 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol

1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol (PubChem CID 71544125) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol
PubChem CID71544125
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol
SMILESCC(O)(c1ccncc1)c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H13FN2OS/c1-16(20,12-6-8-18-9-7-12)15-19-10-14(21-15)11-2-4-13(17)5-3-11/h2-10,20H,1H3
InChIKeyWMYLAXPBQWEIKN-UHFFFAOYSA-N
XLogP3.60
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol
CID 95850481
4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 142384374
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol
CID 174424847
2-tert-butyl-5-phenyl-1,3-thiazole
CID 21059934
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine
CID 71544461
2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54094069
N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine
CID 162729362
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol
CID 62811615
5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid
CID 22709467
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 62651773
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62787435
2-[5-[4-(4-fluorophenyl)phenyl]-1,3-thiazol-2-yl]-2-sulfanylacetic acid
CID 21408636

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol (CID 71544125) is 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol is CC(O)(c1ccncc1)c1ncc(-c2ccc(F)cc2)s1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol?
The InChIKey is WMYLAXPBQWEIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-16(20,12-6-8-18-9-7-12)15-19-10-14(21-15)11-2-4-13(17)5-3-11/h2-10,20H,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol?
1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol has a molecular weight of 300.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol is sourced from PubChem (CID 71544125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).