[2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol

C5H6FNO2S — CID 156901844

IUPAC[2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1nc(F)sc1CO
InChIInChI=1S/C5H6FNO2S/c6-5-7-3(1-8)4(2-9)10-5/h8-9H,1-2H2
InChIKeySBAPKMAHDLXVBO-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.27
Rot. Bonds2

About [2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol

[2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol (PubChem CID 156901844) has the molecular formula C5H6FNO2S and a molecular weight of 163.17 g/mol. Its IUPAC name is [2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
PubChem CID156901844
Molecular FormulaC5H6FNO2S
Molecular Weight163.17 g/mol
Exact Mass163.01
IUPAC Name[2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1nc(F)sc1CO
InChIInChI=1S/C5H6FNO2S/c6-5-7-3(1-8)4(2-9)10-5/h8-9H,1-2H2
InChIKeySBAPKMAHDLXVBO-UHFFFAOYSA-N
XLogP0.27
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol (CID 156901844) is [2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol is OCc1nc(F)sc1CO.
What is the InChIKey of [2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is SBAPKMAHDLXVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO2S/c6-5-7-3(1-8)4(2-9)10-5/h8-9H,1-2H2.
What are the key properties of [2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol?
[2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 163.17 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 156901844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).