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

C9H8FN3O3S — CID 112600989

IUPAC5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCC(c1nccs1)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H8FN3O3S/c1-4(7-11-2-3-17-7)13-8(15)5(10)6(14)12-9(13)16/h2-4,15H,1H3,(H,12,14,16)
InChIKeyMZOULRQPPNSPDH-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.45
Rot. Bonds2

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

5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 112600989) has the molecular formula C9H8FN3O3S and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
PubChem CID112600989
Molecular FormulaC9H8FN3O3S
Molecular Weight257.25 g/mol
Exact Mass257.03
IUPAC Name5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCC(c1nccs1)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H8FN3O3S/c1-4(7-11-2-3-17-7)13-8(15)5(10)6(14)12-9(13)16/h2-4,15H,1H3,(H,12,14,16)
InChIKeyMZOULRQPPNSPDH-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2,4-dioxo-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 100195309
6-chloro-5-fluoro-3-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104369428
6-chloro-5-fluoro-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione
CID 104369489
6-chloro-5-fluoro-3-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 104371749
6-chloro-5-fluoro-3-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372487
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-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione
CID 105910559
5-Fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
CID 112599897
5-Fluoro-6-hydroxy-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600598
5-Fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112601014
5-Fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-dione
CID 112601074
5-Fluoro-6-hydroxy-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 113387615

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione (CID 112600989) is 5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione is CC(c1nccs1)n1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is MZOULRQPPNSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3S/c1-4(7-11-2-3-17-7)13-8(15)5(10)6(14)12-9(13)16/h2-4,15H,1H3,(H,12,14,16).
What are the key properties of 5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of 0.45, 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-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112600989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).