(5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C19H15N3O3S2 — CID 161203025

IUPAC(5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\SC(=Nc3nc4ccccc4s3)NC2=O)c(OC)c1
InChIInChI=1S/C19H15N3O3S2/c1-24-12-8-7-11(14(10-12)25-2)9-16-17(23)21-19(27-16)22-18-20-13-5-3-4-6-15(13)26-18/h3-10H,1-2H3,(H,20,21,22,23)/b16-9-
InChIKeyUVFSUVWKHLIBTR-SXGWCWSVSA-N
MW397.48 g/mol
LogP4.21
Rot. Bonds4

About (5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 161203025) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID161203025
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC Name(5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\SC(=Nc3nc4ccccc4s3)NC2=O)c(OC)c1
InChIInChI=1S/C19H15N3O3S2/c1-24-12-8-7-11(14(10-12)25-2)9-16-17(23)21-19(27-16)22-18-20-13-5-3-4-6-15(13)26-18/h3-10H,1-2H3,(H,20,21,22,23)/b16-9-
InChIKeyUVFSUVWKHLIBTR-SXGWCWSVSA-N
XLogP4.21
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z,5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135981983
(2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 162663841
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501918
2-[[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135522740
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135500973
(5Z)-2-(3-chlorophenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522684
2-[[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135765870
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one
CID 177376640
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135438909
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137207064
(2E,5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135531577
2-(2,4-dimethoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135482900

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 161203025) is (5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=C2\SC(=Nc3nc4ccccc4s3)NC2=O)c(OC)c1.
What is the InChIKey of (5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is UVFSUVWKHLIBTR-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H15N3O3S2/c1-24-12-8-7-11(14(10-12)25-2)9-16-17(23)21-19(27-16)22-18-20-13-5-3-4-6-15(13)26-18/h3-10H,1-2H3,(H,20,21,22,23)/b16-9-.
What are the key properties of (5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 397.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 161203025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).