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

C10H7ClFN3O2S — CID 113404614

IUPAC6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1-c1nc(C2CC2)cs1
InChIInChI=1S/C10H7ClFN3O2S/c11-7-6(12)8(16)15(9(17)14-7)10-13-5(3-18-10)4-1-2-4/h3-4H,1-2H2,(H,14,17)
InChIKeyGIQLGLFOZQSNQV-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.65
Rot. Bonds2

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

6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 113404614) has the molecular formula C10H7ClFN3O2S and a molecular weight of 287.70 g/mol. Its IUPAC name is 6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID113404614
Molecular FormulaC10H7ClFN3O2S
Molecular Weight287.70 g/mol
Exact Mass286.99
IUPAC Name6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1-c1nc(C2CC2)cs1
InChIInChI=1S/C10H7ClFN3O2S/c11-7-6(12)8(16)15(9(17)14-7)10-13-5(3-18-10)4-1-2-4/h3-4H,1-2H2,(H,14,17)
InChIKeyGIQLGLFOZQSNQV-UHFFFAOYSA-N
XLogP1.65
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 62490115
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
CID 103515709
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733185
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-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
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide
CID 114038201
N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 21179589
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide
CID 91015818
2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide
CID 54957928

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione (CID 113404614) is 6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(F)c(=O)n1-c1nc(C2CC2)cs1.
What is the InChIKey of 6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is GIQLGLFOZQSNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2S/c11-7-6(12)8(16)15(9(17)14-7)10-13-5(3-18-10)4-1-2-4/h3-4H,1-2H2,(H,14,17).
What are the key properties of 6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione?
6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 287.70 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).