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

C12H13N3O3S — CID 80643494

IUPAC5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESCCc1nc(-n2c(=O)[nH]cc(C(C)=O)c2=O)sc1C
InChIInChI=1S/C12H13N3O3S/c1-4-9-7(3)19-12(14-9)15-10(17)8(6(2)16)5-13-11(15)18/h5H,4H2,1-3H3,(H,13,18)
InChIKeyHLMPSDMGZCBFPS-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.06
Rot. Bonds3

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

5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 80643494) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID80643494
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESCCc1nc(-n2c(=O)[nH]cc(C(C)=O)c2=O)sc1C
InChIInChI=1S/C12H13N3O3S/c1-4-9-7(3)19-12(14-9)15-10(17)8(6(2)16)5-13-11(15)18/h5H,4H2,1-3H3,(H,13,18)
InChIKeyHLMPSDMGZCBFPS-UHFFFAOYSA-N
XLogP1.06
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (CID 80643494) is 5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is CCc1nc(-n2c(=O)[nH]cc(C(C)=O)c2=O)sc1C.
What is the InChIKey of 5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is HLMPSDMGZCBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-4-9-7(3)19-12(14-9)15-10(17)8(6(2)16)5-13-11(15)18/h5H,4H2,1-3H3,(H,13,18).
What are the key properties of 5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 279.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).