2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol

C11H11FN2OS — CID 112642112

IUPAC2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(O)(Cc1cncs1)c1ccc(F)cn1
InChIInChI=1S/C11H11FN2OS/c1-11(15,4-9-6-13-7-16-9)10-3-2-8(12)5-14-10/h2-3,5-7,15H,4H2,1H3
InChIKeyVSLLSDPHMIKOKG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.13
Rot. Bonds3

About 2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol

2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 112642112) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID112642112
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(O)(Cc1cncs1)c1ccc(F)cn1
InChIInChI=1S/C11H11FN2OS/c1-11(15,4-9-6-13-7-16-9)10-3-2-8(12)5-14-10/h2-3,5-7,15H,4H2,1H3
InChIKeyVSLLSDPHMIKOKG-UHFFFAOYSA-N
XLogP2.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanol
CID 49795582
1-(Pyridin-3-yl)-2-(thiophen-2-yl)propan-2-ol
CID 238325
(4-Fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol
CID 46942575
1-Pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
CID 46948304
1-Pyridin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
CID 49778398
1-(3,4-Difluorophenyl)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanol
CID 49778446
1-(3-Fluorophenyl)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanol
CID 49786306
1-[4-(3-Propan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol
CID 49786861
1-(3-Fluorophenyl)-1-(4-quinolin-3-yl-1,3-thiazol-2-yl)ethanol
CID 49792462
(3,4-Difluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol
CID 49795528
1-(3-pyridyl)-1-[4-[(E)-styryl]thiazol-2-yl]ethanol
CID 49795724
US11629136, Example 9
CID 167449103

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol (CID 112642112) is 2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol is CC(O)(Cc1cncs1)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is VSLLSDPHMIKOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-11(15,4-9-6-13-7-16-9)10-3-2-8(12)5-14-10/h2-3,5-7,15H,4H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol?
2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 238.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 112642112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).