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

C13H15N3O3S — CID 71970540

IUPAC5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCCc1nc(Cn2cc(C(C)=O)c(=O)n(C)c2=O)cs1
InChIInChI=1S/C13H15N3O3S/c1-4-11-14-9(7-20-11)5-16-6-10(8(2)17)12(18)15(3)13(16)19/h6-7H,4-5H2,1-3H3
InChIKeyOGPCWQDHGAIAEW-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.82
Rot. Bonds4

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

5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione (PubChem CID 71970540) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
PubChem CID71970540
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCCc1nc(Cn2cc(C(C)=O)c(=O)n(C)c2=O)cs1
InChIInChI=1S/C13H15N3O3S/c1-4-11-14-9(7-20-11)5-16-6-10(8(2)17)12(18)15(3)13(16)19/h6-7H,4-5H2,1-3H3
InChIKeyOGPCWQDHGAIAEW-UHFFFAOYSA-N
XLogP0.82
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione (CID 71970540) is 5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione is CCc1nc(Cn2cc(C(C)=O)c(=O)n(C)c2=O)cs1.
What is the InChIKey of 5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is OGPCWQDHGAIAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-4-11-14-9(7-20-11)5-16-6-10(8(2)17)12(18)15(3)13(16)19/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 293.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 71970540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).