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

C13H16N4OS — CID 2315873

IUPAC3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCN(C)c1ccc(N2CN=C3SCC(=O)N3C2)cc1
InChIInChI=1S/C13H16N4OS/c1-15(2)10-3-5-11(6-4-10)16-8-14-13-17(9-16)12(18)7-19-13/h3-6H,7-9H2,1-2H3
InChIKeyGKOSTBSFAISSOK-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.42
Rot. Bonds2

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

3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 2315873) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID2315873
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCN(C)c1ccc(N2CN=C3SCC(=O)N3C2)cc1
InChIInChI=1S/C13H16N4OS/c1-15(2)10-3-5-11(6-4-10)16-8-14-13-17(9-16)12(18)7-19-13/h3-6H,7-9H2,1-2H3
InChIKeyGKOSTBSFAISSOK-UHFFFAOYSA-N
XLogP1.42
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 2315873) is 3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is CN(C)c1ccc(N2CN=C3SCC(=O)N3C2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is GKOSTBSFAISSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-15(2)10-3-5-11(6-4-10)16-8-14-13-17(9-16)12(18)7-19-13/h3-6H,7-9H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 276.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 2315873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).