(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C22H19N3O4S — CID 18838065

IUPAC(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O
InChIInChI=1S/C22H19N3O4S/c1-27-16-7-5-4-6-15(16)13-19-21(26)25-22(30-19)23-20(24-25)11-9-14-8-10-17(28-2)18(12-14)29-3/h4-13H,1-3H3/b11-9+,19-13-
InChIKeyFRYGOSZFFRBLRG-YOAWELAASA-N
MW421.48 g/mol
LogP2.89
Rot. Bonds6

About (5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 18838065) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is (5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID18838065
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O
InChIInChI=1S/C22H19N3O4S/c1-27-16-7-5-4-6-15(16)13-19-21(26)25-22(30-19)23-20(24-25)11-9-14-8-10-17(28-2)18(12-14)29-3/h4-13H,1-3H3/b11-9+,19-13-
InChIKeyFRYGOSZFFRBLRG-YOAWELAASA-N
XLogP2.89
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-ethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18838068
acetic acid;pentakis((5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one)
CID 163330567
(5Z)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18838101
(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18838103
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18816560
2-[2-(4-chlorophenyl)ethenyl]-5-[3-(2-methoxyphenyl)prop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5268995
(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18818612
(5Z)-5-[(2-butoxyphenyl)methylidene]-2-[(E)-2-(4-chlorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 23430890
(5E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6318394
(5Z)-2-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18821330
(5Z)-2-[(E)-2-(4-butoxy-3-methoxyphenyl)ethenyl]-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18821092
(5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18821042

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 18838065) is (5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O.
What is the InChIKey of (5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is FRYGOSZFFRBLRG-YOAWELAASA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-27-16-7-5-4-6-15(16)13-19-21(26)25-22(30-19)23-20(24-25)11-9-14-8-10-17(28-2)18(12-14)29-3/h4-13H,1-3H3/b11-9+,19-13-.
What are the key properties of (5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 421.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 18838065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).