1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol

C9H13FN2OS — CID 164657850

IUPAC1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCC(F)C2)s1
InChIInChI=1S/C9H13FN2OS/c1-6(13)8-4-11-9(14-8)12-3-2-7(10)5-12/h4,6-7,13H,2-3,5H2,1H3
InChIKeyBZGHQUAMKCPTHA-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.74
Rot. Bonds2

About 1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol

1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 164657850) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID164657850
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC Name1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCC(F)C2)s1
InChIInChI=1S/C9H13FN2OS/c1-6(13)8-4-11-9(14-8)12-3-2-7(10)5-12/h4,6-7,13H,2-3,5H2,1H3
InChIKeyBZGHQUAMKCPTHA-UHFFFAOYSA-N
XLogP1.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol (CID 164657850) is 1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N2CCC(F)C2)s1.
What is the InChIKey of 1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is BZGHQUAMKCPTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2OS/c1-6(13)8-4-11-9(14-8)12-3-2-7(10)5-12/h4,6-7,13H,2-3,5H2,1H3.
What are the key properties of 1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 216.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 164657850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).