(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C14H14N4OS — CID 24846831

IUPAC(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1nnc2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12
InChIInChI=1S/C14H14N4OS/c1-9-15-16-14-18(9)13(19)12(20-14)8-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3/b12-8+
InChIKeyANOVIYAUKCYVQS-XYOKQWHBSA-N
MW286.36 g/mol
LogP1.07
Rot. Bonds2

About (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 24846831) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID24846831
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1nnc2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12
InChIInChI=1S/C14H14N4OS/c1-9-15-16-14-18(9)13(19)12(20-14)8-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3/b12-8+
InChIKeyANOVIYAUKCYVQS-XYOKQWHBSA-N
XLogP1.07
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 24846831) is (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is Cc1nnc2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12.
What is the InChIKey of (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is ANOVIYAUKCYVQS-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-15-16-14-18(9)13(19)12(20-14)8-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3/b12-8+.
What are the key properties of (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 286.36 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 24846831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).