(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

C23H13Cl2N3O3S — CID 6527324

IUPAC(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
SMILESCC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccc(Cl)cc5Cl)nn4c3=O)o2)cc1
InChIInChI=1S/C23H13Cl2N3O3S/c1-12(29)13-2-4-14(5-3-13)19-9-7-16(31-19)11-20-22(30)28-23(32-20)26-21(27-28)17-8-6-15(24)10-18(17)25/h2-11H,1H3/b20-11-
InChIKeyOGUCIGUFRZNERZ-JAIQZWGSSA-N
MW482.35 g/mol
LogP5.14
Rot. Bonds4

About (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

(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 (PubChem CID 6527324) has the molecular formula C23H13Cl2N3O3S and a molecular weight of 482.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID6527324
Molecular FormulaC23H13Cl2N3O3S
Molecular Weight482.35 g/mol
Exact Mass481.01
IUPAC Name(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
SMILESCC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccc(Cl)cc5Cl)nn4c3=O)o2)cc1
InChIInChI=1S/C23H13Cl2N3O3S/c1-12(29)13-2-4-14(5-3-13)19-9-7-16(31-19)11-20-22(30)28-23(32-20)26-21(27-28)17-8-6-15(24)10-18(17)25/h2-11H,1H3/b20-11-
InChIKeyOGUCIGUFRZNERZ-JAIQZWGSSA-N
XLogP5.14
TPSA77.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6257668
acetic acid;5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 75095184
[2-[(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate
CID 6124551
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3333693
acetic acid;(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 45125882
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
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3698895
4-[5-[(Z)-(6-oxo-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 6196521
methyl 4-[[2-(2,4-dichlorophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate
CID 5180831
(5Z)-2-(4-tert-butylphenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6124973
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5226237

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccc(Cl)cc5Cl)nn4c3=O)o2)cc1.
What is the InChIKey of (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?
The InChIKey is OGUCIGUFRZNERZ-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H13Cl2N3O3S/c1-12(29)13-2-4-14(5-3-13)19-9-7-16(31-19)11-20-22(30)28-23(32-20)26-21(27-28)17-8-6-15(24)10-18(17)25/h2-11H,1H3/b20-11-.
What are the key properties of (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?
(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 has a molecular weight of 482.35 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 6527324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).