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

C23H12Cl3N3O3S — CID 11466475

IUPAC(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)nnc2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n12
InChIInChI=1S/C23H12Cl3N3O3S/c24-14-4-1-12(2-5-14)19-8-7-16(32-19)11-20-22(31)29-21(30)18(27-28-23(29)33-20)9-13-3-6-15(25)10-17(13)26/h1-8,10-11H,9H2/b20-11-
InChIKeyFZUAJOVHFFTTNF-JAIQZWGSSA-N
MW516.79 g/mol
LogP4.87
Rot. Bonds4

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

(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione (PubChem CID 11466475) has the molecular formula C23H12Cl3N3O3S and a molecular weight of 516.79 g/mol. Its IUPAC name is (7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione
PubChem CID11466475
Molecular FormulaC23H12Cl3N3O3S
Molecular Weight516.79 g/mol
Exact Mass514.97
IUPAC Name(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)nnc2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n12
InChIInChI=1S/C23H12Cl3N3O3S/c24-14-4-1-12(2-5-14)19-8-7-16(32-19)11-20-22(31)29-21(30)18(27-28-23(29)33-20)9-13-3-6-15(25)10-17(13)26/h1-8,10-11H,9H2/b20-11-
InChIKeyFZUAJOVHFFTTNF-JAIQZWGSSA-N
XLogP4.87
TPSA77.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.79
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(7Z)-7-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione
CID 11341987
(7Z)-7-(1,3-benzodioxol-5-ylmethylidene)-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione
CID 46243329
(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
(5Z)-5-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527324
(7Z)-3-(1,3-benzodioxol-5-ylmethyl)-7-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione
CID 6521303
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3114589
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-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6081085
3-(4-chlorophenyl)-6-(furan-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3653379
2-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3617688
2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2859433
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

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione?
The IUPAC name of (7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione (CID 11466475) is (7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione.
What is the SMILES notation for (7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione?
The canonical SMILES for (7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione is O=c1c(Cc2ccc(Cl)cc2Cl)nnc2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n12.
What is the InChIKey of (7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione?
The InChIKey is FZUAJOVHFFTTNF-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H12Cl3N3O3S/c24-14-4-1-12(2-5-14)19-8-7-16(32-19)11-20-22(31)29-21(30)18(27-28-23(29)33-20)9-13-3-6-15(25)10-17(13)26/h1-8,10-11H,9H2/b20-11-.
What are the key properties of (7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione?
(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione has a molecular weight of 516.79 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 11466475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).