1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

C9H8FN3O3S — CID 112600252

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCc1nc(-n2c(O)c(F)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C9H8FN3O3S/c1-3-4(2)17-9(11-3)13-7(15)5(10)6(14)12-8(13)16/h15H,1-2H3,(H,12,14,16)
InChIKeyVVWIWDRHCVDBRI-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.44
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112600252) has the molecular formula C9H8FN3O3S and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112600252
Molecular FormulaC9H8FN3O3S
Molecular Weight257.25 g/mol
Exact Mass257.03
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCc1nc(-n2c(O)c(F)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C9H8FN3O3S/c1-3-4(2)17-9(11-3)13-7(15)5(10)6(14)12-8(13)16/h15H,1-2H3,(H,12,14,16)
InChIKeyVVWIWDRHCVDBRI-UHFFFAOYSA-N
XLogP0.44
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 104371671
6-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 104372085
5-Fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
CID 112598818
1-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599774
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide
CID 130165028
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-carboxamide
CID 84327029
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 84329079
6-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 104372087
6-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethyl-1H-pyrimidine-2,4-dione
CID 104372088
6-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
CID 104372089
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione
CID 112597935
1-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599776

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112600252) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is Cc1nc(-n2c(O)c(F)c(=O)[nH]c2=O)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is VVWIWDRHCVDBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3S/c1-3-4(2)17-9(11-3)13-7(15)5(10)6(14)12-8(13)16/h15H,1-2H3,(H,12,14,16).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112600252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).