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

C11H11N3OS — CID 570559

IUPAC3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=C1CSC2=NCN(c3ccccc3)CN12
InChIInChI=1S/C11H11N3OS/c15-10-6-16-11-12-7-13(8-14(10)11)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyRHYYCQIWPPQUBO-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.35
Rot. Bonds1

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

3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 570559) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID570559
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=C1CSC2=NCN(c3ccccc3)CN12
InChIInChI=1S/C11H11N3OS/c15-10-6-16-11-12-7-13(8-14(10)11)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyRHYYCQIWPPQUBO-UHFFFAOYSA-N
XLogP1.35
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 570559) is 3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is O=C1CSC2=NCN(c3ccccc3)CN12.
What is the InChIKey of 3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is RHYYCQIWPPQUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-10-6-16-11-12-7-13(8-14(10)11)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 233.30 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 570559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).