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

C20H15Cl2N3O4S — CID 6111283

IUPAC(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCOc1cc(-c2nnc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n23)cc(OC)c1OC
InChIInChI=1S/C20H15Cl2N3O4S/c1-27-14-6-11(7-15(28-2)17(14)29-3)18-23-24-20-25(18)19(26)16(30-20)8-10-4-5-12(21)9-13(10)22/h4-9H,1-3H3/b16-8-
InChIKeyJDGVOHYYPGYENI-PXNMLYILSA-N
MW464.33 g/mol
LogP3.70
Rot. Bonds5

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

(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 6111283) has the molecular formula C20H15Cl2N3O4S and a molecular weight of 464.33 g/mol. Its IUPAC name is (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID6111283
Molecular FormulaC20H15Cl2N3O4S
Molecular Weight464.33 g/mol
Exact Mass463.02
IUPAC Name(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCOc1cc(-c2nnc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n23)cc(OC)c1OC
InChIInChI=1S/C20H15Cl2N3O4S/c1-27-14-6-11(7-15(28-2)17(14)29-3)18-23-24-20-25(18)19(26)16(30-20)8-10-4-5-12(21)9-13(10)22/h4-9H,1-3H3/b16-8-
InChIKeyJDGVOHYYPGYENI-PXNMLYILSA-N
XLogP3.70
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6292481
6-[(4-ethoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3653381
6-[(3-nitrophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3574068
(6Z)-6-[(2,4-dimethoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1042450
(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2256179
(6E)-6-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2236350
6-[(3,4-dimethoxyphenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1239190
(6E)-3-(4-chlorophenyl)-6-[(4-methylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2007006
(6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6249878
(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6049577
3-(3,4-dimethoxyphenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5106938

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (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) is (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is COc1cc(-c2nnc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n23)cc(OC)c1OC.
What is the InChIKey of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is JDGVOHYYPGYENI-PXNMLYILSA-N. The full InChI is InChI=1S/C20H15Cl2N3O4S/c1-27-14-6-11(7-15(28-2)17(14)29-3)18-23-24-20-25(18)19(26)16(30-20)8-10-4-5-12(21)9-13(10)22/h4-9H,1-3H3/b16-8-.
What are the key properties of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 464.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 6111283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).