3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C13H13N3O2S — CID 1256403

IUPAC3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCC(=O)c1ccc(N2CN=C3SCC(=O)N3C2)cc1
InChIInChI=1S/C13H13N3O2S/c1-9(17)10-2-4-11(5-3-10)15-7-14-13-16(8-15)12(18)6-19-13/h2-5H,6-8H2,1H3
InChIKeySQOZENLUBQURGJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.56
Rot. Bonds2

About 3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1256403) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1256403
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCC(=O)c1ccc(N2CN=C3SCC(=O)N3C2)cc1
InChIInChI=1S/C13H13N3O2S/c1-9(17)10-2-4-11(5-3-10)15-7-14-13-16(8-15)12(18)6-19-13/h2-5H,6-8H2,1H3
InChIKeySQOZENLUBQURGJ-UHFFFAOYSA-N
XLogP1.56
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1256403) is 3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is CC(=O)c1ccc(N2CN=C3SCC(=O)N3C2)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is SQOZENLUBQURGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9(17)10-2-4-11(5-3-10)15-7-14-13-16(8-15)12(18)6-19-13/h2-5H,6-8H2,1H3.
What are the key properties of 3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 275.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1256403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).