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

C11H12FN3O3S — CID 112600069

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCC(C)(C)c1csc(-n2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H12FN3O3S/c1-11(2,3)5-4-19-10(13-5)15-8(17)6(12)7(16)14-9(15)18/h4,17H,1-3H3,(H,14,16,18)
InChIKeyBFDYJTYJXZINBF-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.12
Rot. Bonds1

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112600069) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112600069
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCC(C)(C)c1csc(-n2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H12FN3O3S/c1-11(2,3)5-4-19-10(13-5)15-8(17)6(12)7(16)14-9(15)18/h4,17H,1-3H3,(H,14,16,18)
InChIKeyBFDYJTYJXZINBF-UHFFFAOYSA-N
XLogP1.12
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-Butyl-1,3-thiazol-2-yl)acetamide
CID 588190
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 824432
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
CID 103515686
3-(4-tert-butyl-1,3-thiazol-2-yl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
CID 104371871
5-Fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
CID 112598818
5-Fluoro-6-hydroxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
CID 112599850
1-(4-Cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600165
6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 113404560
1-(4-Tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione
CID 54960351
1-(4-Tert-butyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79875758
6-chloro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 104371729
3-(4-tert-butyl-1,3-thiazol-2-yl)-6-chloro-1H-pyrimidine-2,4-dione
CID 104371872

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112600069) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is CC(C)(C)c1csc(-n2c(O)c(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is BFDYJTYJXZINBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-11(2,3)5-4-19-10(13-5)15-8(17)6(12)7(16)14-9(15)18/h4,17H,1-3H3,(H,14,16,18).
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 285.30 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112600069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).