(6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C21H19N3O4S — CID 6249878

IUPAC(6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCOc1cc(OC)c(OC)cc1/C=c1\sc2nnc(-c3ccccc3C)n2c1=O
InChIInChI=1S/C21H19N3O4S/c1-12-7-5-6-8-14(12)19-22-23-21-24(19)20(25)18(29-21)10-13-9-16(27-3)17(28-4)11-15(13)26-2/h5-11H,1-4H3/b18-10-
InChIKeyZJBSLEIUOIHINN-ZDLGFXPLSA-N
MW409.47 g/mol
LogP2.70
Rot. Bonds5

About (6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

(6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 6249878) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is (6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID6249878
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name(6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCOc1cc(OC)c(OC)cc1/C=c1\sc2nnc(-c3ccccc3C)n2c1=O
InChIInChI=1S/C21H19N3O4S/c1-12-7-5-6-8-14(12)19-22-23-21-24(19)20(25)18(29-21)10-13-9-16(27-3)17(28-4)11-15(13)26-2/h5-11H,1-4H3/b18-10-
InChIKeyZJBSLEIUOIHINN-ZDLGFXPLSA-N
XLogP2.70
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6292481
(6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 91972496
(6Z)-6-[(2,4-dimethoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1042450
6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5143925
6-[(3,4-dimethoxyphenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1239190
6-[(3,4-dimethoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3851771
(6Z)-6-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5294431
6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3403665
(6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 7316147
(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6111283
6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 937809
(6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 926133

Frequently Asked Questions

What is the IUPAC name of (6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 6249878) is (6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is COc1cc(OC)c(OC)cc1/C=c1\sc2nnc(-c3ccccc3C)n2c1=O.
What is the InChIKey of (6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is ZJBSLEIUOIHINN-ZDLGFXPLSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-12-7-5-6-8-14(12)19-22-23-21-24(19)20(25)18(29-21)10-13-9-16(27-3)17(28-4)11-15(13)26-2/h5-11H,1-4H3/b18-10-.
What are the key properties of (6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 409.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 6249878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).