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

C13H15N3OS — CID 1303494

IUPAC3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1cc(C)cc(N2CN=C3SCC(=O)N3C2)c1
InChIInChI=1S/C13H15N3OS/c1-9-3-10(2)5-11(4-9)15-7-14-13-16(8-15)12(17)6-18-13/h3-5H,6-8H2,1-2H3
InChIKeyJWYDEQVMWSBMTK-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.97
Rot. Bonds1

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

3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1303494) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1303494
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1cc(C)cc(N2CN=C3SCC(=O)N3C2)c1
InChIInChI=1S/C13H15N3OS/c1-9-3-10(2)5-11(4-9)15-7-14-13-16(8-15)12(17)6-18-13/h3-5H,6-8H2,1-2H3
InChIKeyJWYDEQVMWSBMTK-UHFFFAOYSA-N
XLogP1.97
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1303494) is 3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is Cc1cc(C)cc(N2CN=C3SCC(=O)N3C2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is JWYDEQVMWSBMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-3-10(2)5-11(4-9)15-7-14-13-16(8-15)12(17)6-18-13/h3-5H,6-8H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 261.35 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1303494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).