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

C12H13N3OS — CID 1387917

IUPAC3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1cccc(N2CN=C3SCC(=O)N3C2)c1
InChIInChI=1S/C12H13N3OS/c1-9-3-2-4-10(5-9)14-7-13-12-15(8-14)11(16)6-17-12/h2-5H,6-8H2,1H3
InChIKeyKPKMGINCLBSLEJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.66
Rot. Bonds1

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

3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1387917) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1387917
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1cccc(N2CN=C3SCC(=O)N3C2)c1
InChIInChI=1S/C12H13N3OS/c1-9-3-2-4-10(5-9)14-7-13-12-15(8-14)11(16)6-17-12/h2-5H,6-8H2,1H3
InChIKeyKPKMGINCLBSLEJ-UHFFFAOYSA-N
XLogP1.66
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 562408
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
3-(3,4-dimethylphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1311301
(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
(Z)-2-(4-(dimethylamino)benzylidene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin-3(5H)-one
CID 2042689
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
(Z)-2-(propylimino)-3-(o-tolyl)thiazolidin-4-one
CID 24956672
3-Benzyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 3849976
7-ethyl-3-phenyl-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 3239981
(7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155558439

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1387917) is 3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is Cc1cccc(N2CN=C3SCC(=O)N3C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is KPKMGINCLBSLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-3-2-4-10(5-9)14-7-13-12-15(8-14)11(16)6-17-12/h2-5H,6-8H2,1H3.
What are the key properties of 3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 247.32 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1387917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).