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

C13H15N3OS — CID 1311301

IUPAC3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1ccc(N2CN=C3SCC(=O)N3C2)cc1C
InChIInChI=1S/C13H15N3OS/c1-9-3-4-11(5-10(9)2)15-7-14-13-16(8-15)12(17)6-18-13/h3-5H,6-8H2,1-2H3
InChIKeyMOGRDGVZYDEPBZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.97
Rot. Bonds1

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

3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1311301) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1311301
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1ccc(N2CN=C3SCC(=O)N3C2)cc1C
InChIInChI=1S/C13H15N3OS/c1-9-3-4-11(5-10(9)2)15-7-14-13-16(8-15)12(17)6-18-13/h3-5H,6-8H2,1-2H3
InChIKeyMOGRDGVZYDEPBZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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

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Related Compounds

3-m-Tolyl-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1387917
(7Z)-7-benzylidene-3-(4-ethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1888918
(7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 794768
3-[4-(Dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 2315873
3-Phenyl-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 570559
7-ethyl-3-phenyl-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 3239981
3-(3,5-dimethylphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1303494
1-(3,4-Dimethylphenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 383608
1-(3,4-Dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 383611
3-(4-acetylphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1256403
3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1322754
(2E)-3-methyl-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1495113

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1311301) is 3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is Cc1ccc(N2CN=C3SCC(=O)N3C2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is MOGRDGVZYDEPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-3-4-11(5-10(9)2)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-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
3-(3,4-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-(3,4-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1311301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).