5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one

C7H4FN3O2S — CID 168728235

IUPAC5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2nccs2)nc(O)c1F
InChIInChI=1S/C7H4FN3O2S/c8-3-5(12)10-4(11-6(3)13)7-9-1-2-14-7/h1-2H,(H2,10,11,12,13)
InChIKeyFDBWDSJVMAXKAL-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.74
Rot. Bonds1

About 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one

5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 168728235) has the molecular formula C7H4FN3O2S and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID168728235
Molecular FormulaC7H4FN3O2S
Molecular Weight213.19 g/mol
Exact Mass213.00
IUPAC Name5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2nccs2)nc(O)c1F
InChIInChI=1S/C7H4FN3O2S/c8-3-5(12)10-4(11-6(3)13)7-9-1-2-14-7/h1-2H,(H2,10,11,12,13)
InChIKeyFDBWDSJVMAXKAL-UHFFFAOYSA-N
XLogP0.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 168728235) is 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2nccs2)nc(O)c1F.
What is the InChIKey of 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is FDBWDSJVMAXKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O2S/c8-3-5(12)10-4(11-6(3)13)7-9-1-2-14-7/h1-2H,(H2,10,11,12,13).
What are the key properties of 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 213.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 168728235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).