5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide

C8H5FN4O3S — CID 88642623

IUPAC5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide
SMILESO=C(Nc1nccs1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H5FN4O3S/c9-4-3-13(7(15)11-5(4)14)8(16)12-6-10-1-2-17-6/h1-3H,(H,10,12,16)(H,11,14,15)
InChIKeySZBXBRFPJHSPRX-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.21
Rot. Bonds1

About 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide

5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide (PubChem CID 88642623) has the molecular formula C8H5FN4O3S and a molecular weight of 256.22 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide
PubChem CID88642623
Molecular FormulaC8H5FN4O3S
Molecular Weight256.22 g/mol
Exact Mass256.01
IUPAC Name5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide
SMILESO=C(Nc1nccs1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H5FN4O3S/c9-4-3-13(7(15)11-5(4)14)8(16)12-6-10-1-2-17-6/h1-3H,(H,10,12,16)(H,11,14,15)
InChIKeySZBXBRFPJHSPRX-UHFFFAOYSA-N
XLogP0.21
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide
CID 4275223
5-oxo-N-(1,3-thiazol-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3447444
2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-YL)-N-(1,3-thiazol-2-YL)acetamide
CID 304574
2-((6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 135561690
(2E)-2-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)-N-(1,3-thiazol-2-yl)ethanamide
CID 1383948
2-Acrylamidothiazole
CID 543201
N-(1,3-Thiazol-2-yl)-2-butenediamide
CID 6366801
5-fluoro-2,4-dioxo-N-[1-(1,3-thiazol-2-ylcarbamoylamino)hexyl]pyrimidine-1-carboxamide
CID 88642309
5-fluoro-2,4-dioxo-N-[6-(1,3-thiazol-2-ylcarbamoylamino)hexyl]pyrimidine-1-carboxamide
CID 88642310
2-[(4-hydroxypyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 972827
N-Methyl-N'-(thiazol-2-yl)-2-butenediamide
CID 6366799
2,2,2-trifluoro-N-(1,3-thiazol-2-ylcarbamoyl)acetamide
CID 71671935

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide (CID 88642623) is 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide is O=C(Nc1nccs1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide?
The InChIKey is SZBXBRFPJHSPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O3S/c9-4-3-13(7(15)11-5(4)14)8(16)12-6-10-1-2-17-6/h1-3H,(H,10,12,16)(H,11,14,15).
What are the key properties of 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide has a molecular weight of 256.22 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide is sourced from PubChem (CID 88642623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).