(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C18H13ClFN3OS — CID 18842434

IUPAC(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N/c1cccnc1
InChIInChI=1S/C18H13ClFN3OS/c1-2-9-23-17(24)16(10-13-14(19)6-3-7-15(13)20)25-18(23)22-12-5-4-8-21-11-12/h2-8,10-11H,1,9H2/b16-10-,22-18+
InChIKeyZBOVNZQSLDEUFN-AXLPVRDRSA-N
MW373.84 g/mol
LogP4.66
Rot. Bonds4

About (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842434) has the molecular formula C18H13ClFN3OS and a molecular weight of 373.84 g/mol. Its IUPAC name is (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842434
Molecular FormulaC18H13ClFN3OS
Molecular Weight373.84 g/mol
Exact Mass373.05
IUPAC Name(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N/c1cccnc1
InChIInChI=1S/C18H13ClFN3OS/c1-2-9-23-17(24)16(10-13-14(19)6-3-7-15(13)20)25-18(23)22-12-5-4-8-21-11-12/h2-8,10-11H,1,9H2/b16-10-,22-18+
InChIKeyZBOVNZQSLDEUFN-AXLPVRDRSA-N
XLogP4.66
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842434) is (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N/c1cccnc1.
What is the InChIKey of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is ZBOVNZQSLDEUFN-AXLPVRDRSA-N. The full InChI is InChI=1S/C18H13ClFN3OS/c1-2-9-23-17(24)16(10-13-14(19)6-3-7-15(13)20)25-18(23)22-12-5-4-8-21-11-12/h2-8,10-11H,1,9H2/b16-10-,22-18+.
What are the key properties of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 373.84 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).