5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione

C11H11N3O3S — CID 80643782

IUPAC5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CCc2cscn2)c1=O
InChIInChI=1S/C11H11N3O3S/c1-7(15)9-4-12-11(17)14(10(9)16)3-2-8-5-18-6-13-8/h4-6H,2-3H2,1H3,(H,12,17)
InChIKeyWIMBQTYSFHYZQR-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.44
Rot. Bonds4

About 5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione

5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 80643782) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID80643782
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CCc2cscn2)c1=O
InChIInChI=1S/C11H11N3O3S/c1-7(15)9-4-12-11(17)14(10(9)16)3-2-8-5-18-6-13-8/h4-6H,2-3H2,1H3,(H,12,17)
InChIKeyWIMBQTYSFHYZQR-UHFFFAOYSA-N
XLogP0.44
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione (CID 80643782) is 5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(CCc2cscn2)c1=O.
What is the InChIKey of 5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WIMBQTYSFHYZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-7(15)9-4-12-11(17)14(10(9)16)3-2-8-5-18-6-13-8/h4-6H,2-3H2,1H3,(H,12,17).
What are the key properties of 5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 265.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).