5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione

C8H6FN3O3S — CID 112600760

IUPAC5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2cscn2)c(O)c1F
InChIInChI=1S/C8H6FN3O3S/c9-5-6(13)11-8(15)12(7(5)14)1-4-2-16-3-10-4/h2-3,14H,1H2,(H,11,13,15)
InChIKeyFBSLIBUUHDMOBR-UHFFFAOYSA-N
MW243.22 g/mol
LogP-0.11
Rot. Bonds2

About 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 112600760) has the molecular formula C8H6FN3O3S and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID112600760
Molecular FormulaC8H6FN3O3S
Molecular Weight243.22 g/mol
Exact Mass243.01
IUPAC Name5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2cscn2)c(O)c1F
InChIInChI=1S/C8H6FN3O3S/c9-5-6(13)11-8(15)12(7(5)14)1-4-2-16-3-10-4/h2-3,14H,1H2,(H,11,13,15)
InChIKeyFBSLIBUUHDMOBR-UHFFFAOYSA-N
XLogP-0.11
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-5-fluoro-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 104371780
6-chloro-5-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione
CID 104371801
6-chloro-5-fluoro-3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 104372615
5-Fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 112599942
5-Fluoro-6-hydroxy-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione
CID 112599973
5-Fluoro-6-hydroxy-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600592
5-Fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 112600708
5-Fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112601014
6-Amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 126837357
3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 175873288
6-Amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione
CID 55220029
6-Amino-1-methyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione
CID 55220178

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione (CID 112600760) is 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2cscn2)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is FBSLIBUUHDMOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O3S/c9-5-6(13)11-8(15)12(7(5)14)1-4-2-16-3-10-4/h2-3,14H,1H2,(H,11,13,15).
What are the key properties of 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 243.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112600760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).