5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione

C9H8FN3O3S — CID 112599965

IUPAC5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1ncc(Cn2c(O)c(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C9H8FN3O3S/c1-4-11-2-5(17-4)3-13-8(15)6(10)7(14)12-9(13)16/h2,15H,3H2,1H3,(H,12,14,16)
InChIKeyIHQVNZXVQWFEAA-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.19
Rot. Bonds2

About 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 112599965) has the molecular formula C9H8FN3O3S and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID112599965
Molecular FormulaC9H8FN3O3S
Molecular Weight257.25 g/mol
Exact Mass257.03
IUPAC Name5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1ncc(Cn2c(O)c(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C9H8FN3O3S/c1-4-11-2-5(17-4)3-13-8(15)6(10)7(14)12-9(13)16/h2,15H,3H2,1H3,(H,12,14,16)
InChIKeyIHQVNZXVQWFEAA-UHFFFAOYSA-N
XLogP0.19
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]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

2-[(2-Methyl-1,3-thiazol-5-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265666
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 79764852
1-[(2-Amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 79774089
6-chloro-5-fluoro-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrimidine-2,4-dione
CID 104371795
6-chloro-5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372732
6-chloro-5-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione
CID 105910598
6-chloro-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 105910635
5-Fluoro-6-hydroxy-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600598
5-Fluoro-6-hydroxy-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 113387615
5-Fluoro-6-hydroxy-1-[2-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-dione
CID 114126874
5-Fluoro-6-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione
CID 114126881
1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 114126885

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione (CID 112599965) is 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione is Cc1ncc(Cn2c(O)c(F)c(=O)[nH]c2=O)s1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is IHQVNZXVQWFEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3S/c1-4-11-2-5(17-4)3-13-8(15)6(10)7(14)12-9(13)16/h2,15H,3H2,1H3,(H,12,14,16).
What are the key properties of 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of 0.19, 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-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112599965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).