2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C24H15Cl2N3O3S — CID 3782887

IUPAC2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCc1ccc(Cc2nn3c(=O)c(=Cc4ccc(-c5ccc(Cl)c(Cl)c5)o4)sc3nc2=O)cc1
InChIInChI=1S/C24H15Cl2N3O3S/c1-13-2-4-14(5-3-13)10-19-22(30)27-24-29(28-19)23(31)21(33-24)12-16-7-9-20(32-16)15-6-8-17(25)18(26)11-15/h2-9,11-12H,10H2,1H3
InChIKeyVHSWTZFICVWFGM-UHFFFAOYSA-N
MW496.38 g/mol
LogP4.52
Rot. Bonds4

About 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 3782887) has the molecular formula C24H15Cl2N3O3S and a molecular weight of 496.38 g/mol. Its IUPAC name is 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID3782887
Molecular FormulaC24H15Cl2N3O3S
Molecular Weight496.38 g/mol
Exact Mass495.02
IUPAC Name2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCc1ccc(Cc2nn3c(=O)c(=Cc4ccc(-c5ccc(Cl)c(Cl)c5)o4)sc3nc2=O)cc1
InChIInChI=1S/C24H15Cl2N3O3S/c1-13-2-4-14(5-3-13)10-19-22(30)27-24-29(28-19)23(31)21(33-24)12-16-7-9-20(32-16)15-6-8-17(25)18(26)11-15/h2-9,11-12H,10H2,1H3
InChIKeyVHSWTZFICVWFGM-UHFFFAOYSA-N
XLogP4.52
TPSA77.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_H(5)', 'substructure': 'N/A'}

Analyze 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione with MolForge

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

Launch Full Analysis

Related Compounds

(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6124880
(5Z)-2-(2,4-dichlorophenyl)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527394
6-[(4-methylphenyl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3490960
(2Z)-6-[(4-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 2142590
2-[(3,4-dichlorophenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4983811
acetic acid;pentakis((2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione)
CID 163330282
(2Z)-2-benzylidene-6-[(4-chlorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 6017214
(2Z)-6-[(4-methylphenyl)methyl]-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 2010246
6-[(4-methylphenyl)methyl]-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3479836
6-[(4-methylphenyl)methyl]-2-[(4-phenylmethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3820581
2-[(4-methylphenoxy)methyl]-5-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4709905
6-benzyl-2-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1388706

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 3782887) is 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is Cc1ccc(Cc2nn3c(=O)c(=Cc4ccc(-c5ccc(Cl)c(Cl)c5)o4)sc3nc2=O)cc1.
What is the InChIKey of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is VHSWTZFICVWFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3O3S/c1-13-2-4-14(5-3-13)10-19-22(30)27-24-29(28-19)23(31)21(33-24)12-16-7-9-20(32-16)15-6-8-17(25)18(26)11-15/h2-9,11-12H,10H2,1H3.
What are the key properties of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 496.38 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 3782887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).