(2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C19H15N3O3S2 — CID 162663841

IUPAC(2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3nc4ccc(OC)cc4s3)NC2=O)cc1
InChIInChI=1S/C19H15N3O3S2/c1-24-12-5-3-11(4-6-12)9-16-17(23)21-19(27-16)22-18-20-14-8-7-13(25-2)10-15(14)26-18/h3-10H,1-2H3,(H,20,21,22,23)/b16-9-
InChIKeyPFHUODRTPMXOQX-SXGWCWSVSA-N
MW397.48 g/mol
LogP4.21
Rot. Bonds4

About (2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 162663841) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID162663841
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC Name(2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3nc4ccc(OC)cc4s3)NC2=O)cc1
InChIInChI=1S/C19H15N3O3S2/c1-24-12-5-3-11(4-6-12)9-16-17(23)21-19(27-16)22-18-20-14-8-7-13(25-2)10-15(14)26-18/h3-10H,1-2H3,(H,20,21,22,23)/b16-9-
InChIKeyPFHUODRTPMXOQX-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
(5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 161203025
(2Z)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 136914459
(5E)-2-(4-chlorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782250
2-(4-hydroxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135447185
(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137119004
2-(2-fluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486755
(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135563198
(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505964
2-(2,4-dimethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135482873
4-[(Z)-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 137166152
(5E)-2-(4-methoxyphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135435591

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 162663841) is (2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/c3nc4ccc(OC)cc4s3)NC2=O)cc1.
What is the InChIKey of (2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is PFHUODRTPMXOQX-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H15N3O3S2/c1-24-12-5-3-11(4-6-12)9-16-17(23)21-19(27-16)22-18-20-14-8-7-13(25-2)10-15(14)26-18/h3-10H,1-2H3,(H,20,21,22,23)/b16-9-.
What are the key properties of (2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)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 (2E,5Z)-2-[(6-methoxy-1,3-benzothiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 162663841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).