2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol

C16H13FN2OS — CID 118693508

IUPAC2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol
SMILESOCCc1ccnc(-c2cnc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C16H13FN2OS/c17-13-3-1-12(2-4-13)16-19-10-15(21-16)14-9-11(6-8-20)5-7-18-14/h1-5,7,9-10,20H,6,8H2
InChIKeyOIFVDFGZBZOLMN-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.55
Rot. Bonds4

About 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol

2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol (PubChem CID 118693508) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol
PubChem CID118693508
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol
SMILESOCCc1ccnc(-c2cnc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C16H13FN2OS/c17-13-3-1-12(2-4-13)16-19-10-15(21-16)14-9-11(6-8-20)5-7-18-14/h1-5,7,9-10,20H,6,8H2
InChIKeyOIFVDFGZBZOLMN-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol?
The IUPAC name of 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol (CID 118693508) is 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol.
What is the SMILES notation for 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol?
The canonical SMILES for 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol is OCCc1ccnc(-c2cnc(-c3ccc(F)cc3)s2)c1.
What is the InChIKey of 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol?
The InChIKey is OIFVDFGZBZOLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-13-3-1-12(2-4-13)16-19-10-15(21-16)14-9-11(6-8-20)5-7-18-14/h1-5,7,9-10,20H,6,8H2.
What are the key properties of 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol?
2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol has a molecular weight of 300.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol is sourced from PubChem (CID 118693508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).