2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol

C16H13FN2OS — CID 79712451

IUPAC2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol
SMILESOC(Cc1csc(-c2ccc(F)cn2)n1)c1ccccc1
InChIInChI=1S/C16H13FN2OS/c17-12-6-7-14(18-9-12)16-19-13(10-21-16)8-15(20)11-4-2-1-3-5-11/h1-7,9-10,15,20H,8H2
InChIKeyJIZIHBISTPGQIT-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.62
Rot. Bonds4

About 2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol

2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol (PubChem CID 79712451) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol
PubChem CID79712451
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol
SMILESOC(Cc1csc(-c2ccc(F)cn2)n1)c1ccccc1
InChIInChI=1S/C16H13FN2OS/c17-12-6-7-14(18-9-12)16-19-13(10-21-16)8-15(20)11-4-2-1-3-5-11/h1-7,9-10,15,20H,8H2
InChIKeyJIZIHBISTPGQIT-UHFFFAOYSA-N
XLogP3.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
CID 79719140
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol
CID 62364984
2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 80685288
1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
CID 103476126
2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
CID 62752810
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 116775236
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
CID 62754698
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 131219601

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol?
The IUPAC name of 2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol (CID 79712451) is 2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol is OC(Cc1csc(-c2ccc(F)cn2)n1)c1ccccc1.
What is the InChIKey of 2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol?
The InChIKey is JIZIHBISTPGQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-12-6-7-14(18-9-12)16-19-13(10-21-16)8-15(20)11-4-2-1-3-5-11/h1-7,9-10,15,20H,8H2.
What are the key properties of 2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol?
2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol has a molecular weight of 300.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol is sourced from PubChem (CID 79712451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).