(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one

C17H15N3O3S — CID 135634506

IUPAC(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
SMILESCOc1cc(/N=C2\NC(=O)S\C2=C/c2cccnc2)cc(OC)c1
InChIInChI=1S/C17H15N3O3S/c1-22-13-7-12(8-14(9-13)23-2)19-16-15(24-17(21)20-16)6-11-4-3-5-18-10-11/h3-10H,1-2H3,(H,19,20,21)/b15-6-
InChIKeyFORXPUJXYMJCAD-UUASQNMZSA-N
MW341.39 g/mol
LogP3.63
Rot. Bonds4

About (5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one

(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one (PubChem CID 135634506) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is (5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
PubChem CID135634506
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
SMILESCOc1cc(/N=C2\NC(=O)S\C2=C/c2cccnc2)cc(OC)c1
InChIInChI=1S/C17H15N3O3S/c1-22-13-7-12(8-14(9-13)23-2)19-16-15(24-17(21)20-16)6-11-4-3-5-18-10-11/h3-10H,1-2H3,(H,19,20,21)/b15-6-
InChIKeyFORXPUJXYMJCAD-UUASQNMZSA-N
XLogP3.63
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634493
(5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634327
(5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
CID 135711713
(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
CID 135711750
(5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one
CID 135635383
(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one
CID 135635357
(5Z)-2-(4-ethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135844663
3-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515310
5-[[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135634696
(5Z)-2-(3-chloro-4-methylphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 137064790
(5E)-2-(4-chloro-3-methylphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135481588
(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one
CID 135555338

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one (CID 135634506) is (5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one is COc1cc(/N=C2\NC(=O)S\C2=C/c2cccnc2)cc(OC)c1.
What is the InChIKey of (5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
The InChIKey is FORXPUJXYMJCAD-UUASQNMZSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-13-7-12(8-14(9-13)23-2)19-16-15(24-17(21)20-16)6-11-4-3-5-18-10-11/h3-10H,1-2H3,(H,19,20,21)/b15-6-.
What are the key properties of (5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one has a molecular weight of 341.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one is sourced from PubChem (CID 135634506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).