(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

C24H19N3O4S — CID 18838101

IUPAC(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
SMILESCOc1ccc(/C=C/c2nc3s/c(=C\C4=Cc5ccccc5OC4)c(=O)n3n2)cc1OC
InChIInChI=1S/C24H19N3O4S/c1-29-19-9-7-15(12-20(19)30-2)8-10-22-25-24-27(26-22)23(28)21(32-24)13-16-11-17-5-3-4-6-18(17)31-14-16/h3-13H,14H2,1-2H3/b10-8+,21-13-
InChIKeyPNVUDVURTRLJLB-DACZTEGVSA-N
MW445.50 g/mol
LogP3.31
Rot. Bonds5

About (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

(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 (PubChem CID 18838101) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID18838101
Molecular FormulaC24H19N3O4S
Molecular Weight445.50 g/mol
Exact Mass445.11
IUPAC Name(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
SMILESCOc1ccc(/C=C/c2nc3s/c(=C\C4=Cc5ccccc5OC4)c(=O)n3n2)cc1OC
InChIInChI=1S/C24H19N3O4S/c1-29-19-9-7-15(12-20(19)30-2)8-10-22-25-24-27(26-22)23(28)21(32-24)13-16-11-17-5-3-4-6-18(17)31-14-16/h3-13H,14H2,1-2H3/b10-8+,21-13-
InChIKeyPNVUDVURTRLJLB-DACZTEGVSA-N
XLogP3.31
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3385676
5-(2H-chromen-3-ylmethylidene)-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3555899
(5Z)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 34313921
(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
(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
(5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6518718
(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
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
(2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6221358
(5E)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[(2S)-2-methyl-2H-chromen-3-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 51869057
5-(furan-2-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3362881

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(/C=C/c2nc3s/c(=C\C4=Cc5ccccc5OC4)c(=O)n3n2)cc1OC.
What is the InChIKey of (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?
The InChIKey is PNVUDVURTRLJLB-DACZTEGVSA-N. The full InChI is InChI=1S/C24H19N3O4S/c1-29-19-9-7-15(12-20(19)30-2)8-10-22-25-24-27(26-22)23(28)21(32-24)13-16-11-17-5-3-4-6-18(17)31-14-16/h3-13H,14H2,1-2H3/b10-8+,21-13-.
What are the key properties of (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?
(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 has a molecular weight of 445.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 18838101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).