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

C20H16N2O3S2 — CID 135700552

IUPAC(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=c2\s/c(=C/c3nc4ccccc4s3)[nH]c2=O)cc1OC
InChIInChI=1S/C20H16N2O3S2/c1-24-14-8-7-12(9-15(14)25-2)10-17-20(23)22-19(27-17)11-18-21-13-5-3-4-6-16(13)26-18/h3-11H,1-2H3,(H,22,23)/b17-10-,19-11+
InChIKeyBTXFMINKMHLHAI-ALAONZSNSA-N
MW396.49 g/mol
LogP2.72
Rot. Bonds4

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

(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135700552) has the molecular formula C20H16N2O3S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135700552
Molecular FormulaC20H16N2O3S2
Molecular Weight396.49 g/mol
Exact Mass396.06
IUPAC Name(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=c2\s/c(=C/c3nc4ccccc4s3)[nH]c2=O)cc1OC
InChIInChI=1S/C20H16N2O3S2/c1-24-14-8-7-12(9-15(14)25-2)10-17-20(23)22-19(27-17)11-18-21-13-5-3-4-6-16(13)26-18/h3-11H,1-2H3,(H,22,23)/b17-10-,19-11+
InChIKeyBTXFMINKMHLHAI-ALAONZSNSA-N
XLogP2.72
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135700568
methyl 2-[(Z)-[(2Z)-2-(1,3-benzothiazol-2-ylmethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135700596
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 21157240
(2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832092
[5-[(Z)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl] dihydrogen phosphate
CID 165416600
2-[(E)-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-1,3-benzothiazole
CID 6145747
2-[4-[(Z)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid
CID 92945317
(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8831834
(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 6212697
(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832075
2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 5140062
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135519915

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135700552) is (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=c2\s/c(=C/c3nc4ccccc4s3)[nH]c2=O)cc1OC.
What is the InChIKey of (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is BTXFMINKMHLHAI-ALAONZSNSA-N. The full InChI is InChI=1S/C20H16N2O3S2/c1-24-14-8-7-12(9-15(14)25-2)10-17-20(23)22-19(27-17)11-18-21-13-5-3-4-6-16(13)26-18/h3-11H,1-2H3,(H,22,23)/b17-10-,19-11+.
What are the key properties of (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 396.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135700552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).