6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione

C10H9ClFN3O2S — CID 113404560

IUPAC6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(C)c1csc(-n2c(=O)[nH]c(Cl)c(F)c2=O)n1
InChIInChI=1S/C10H9ClFN3O2S/c1-4(2)5-3-18-10(13-5)15-8(16)6(12)7(11)14-9(15)17/h3-4H,1-2H3,(H,14,17)
InChIKeyZSFMJWDGYGQEBU-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.90
Rot. Bonds2

About 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione

6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 113404560) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID113404560
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC Name6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(C)c1csc(-n2c(=O)[nH]c(Cl)c(F)c2=O)n1
InChIInChI=1S/C10H9ClFN3O2S/c1-4(2)5-3-18-10(13-5)15-8(16)6(12)7(11)14-9(15)17/h3-4H,1-2H3,(H,14,17)
InChIKeyZSFMJWDGYGQEBU-UHFFFAOYSA-N
XLogP1.90
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

4-Isopropyl-2-trifluoroacetylaminothiazole
CID 23115829
2,2-difluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 103515656
6-chloro-5-fluoro-3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 104370655
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-Tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600069
1-(4-Cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600165
2,2,3,3-tetrafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 113250945
6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404614
2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 114038191
N-[4-(1-Methylethyl)-2-thiazolyl]acetamide
CID 30715643

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (CID 113404560) is 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is CC(C)c1csc(-n2c(=O)[nH]c(Cl)c(F)c2=O)n1.
What is the InChIKey of 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZSFMJWDGYGQEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c1-4(2)5-3-18-10(13-5)15-8(16)6(12)7(11)14-9(15)17/h3-4H,1-2H3,(H,14,17).
What are the key properties of 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 289.72 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).