3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

C12H11N3OS — CID 13169724

IUPAC3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1ccc(-c2nnc3n(c2=O)CCS3)cc1
InChIInChI=1S/C12H11N3OS/c1-8-2-4-9(5-3-8)10-11(16)15-6-7-17-12(15)14-13-10/h2-5H,6-7H2,1H3
InChIKeyHVOBUUWMPSEWHT-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.72
Rot. Bonds1

About 3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 13169724) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID13169724
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1ccc(-c2nnc3n(c2=O)CCS3)cc1
InChIInChI=1S/C12H11N3OS/c1-8-2-4-9(5-3-8)10-11(16)15-6-7-17-12(15)14-13-10/h2-5H,6-7H2,1H3
InChIKeyHVOBUUWMPSEWHT-UHFFFAOYSA-N
XLogP1.72
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-5-benzyl-2-[(Z)-benzylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 5829830
6-Phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 13169728
4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one
CID 560485
3-Phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
CID 13169722
2-Phenyl-6,7-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidin-3(2h)-one hydrochloride
CID 129791906
3-Phenyl-6,7-dihydro-4h-1,3-thiazolo[2,3-c][1,2,4]triazin-4-one
CID 139060819
5-Benzyl-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 2856475
(2Z)-5-benzyl-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 5724082
3-Allyl-5-benzyl-1,3-thiazolidine-2,4-dione 2-{[1-(4-fluorophenyl)ethylidene]hydrazone}
CID 5901090
(2Z,5S)-5-benzyl-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 6981680
(2Z,5R)-5-benzyl-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7115975
(2E)-5-benzyl-2-{(2E)-[1-(4-fluorophenyl)ethylidene]hydrazinylidene}-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one
CID 16428511

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one (CID 13169724) is 3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one is Cc1ccc(-c2nnc3n(c2=O)CCS3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is HVOBUUWMPSEWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-8-2-4-9(5-3-8)10-11(16)15-6-7-17-12(15)14-13-10/h2-5H,6-7H2,1H3.
What are the key properties of 3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 245.31 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 13169724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).