(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one

C23H18ClN3O2S — CID 18844066

IUPAC(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2\S/C(=N\c3ccncc3Cl)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H18ClN3O2S/c1-2-29-18-10-8-16(9-11-18)14-21-22(28)27(17-6-4-3-5-7-17)23(30-21)26-20-12-13-25-15-19(20)24/h3-15H,2H2,1H3/b21-14-,26-23-
InChIKeyNYEBAAZDDGJJNN-RQBVCSNNSA-N
MW435.94 g/mol
LogP5.94
Rot. Bonds5

About (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one

(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 18844066) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID18844066
Molecular FormulaC23H18ClN3O2S
Molecular Weight435.94 g/mol
Exact Mass435.08
IUPAC Name(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2\S/C(=N\c3ccncc3Cl)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H18ClN3O2S/c1-2-29-18-10-8-16(9-11-18)14-21-22(28)27(17-6-4-3-5-7-17)23(30-21)26-20-12-13-25-15-19(20)24/h3-15H,2H2,1H3/b21-14-,26-23-
InChIKeyNYEBAAZDDGJJNN-RQBVCSNNSA-N
XLogP5.94
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.94
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18843990
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18844005
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18844059
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18844002
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18844003
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18843981
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843784
(2E,5Z)-5-[(4-ethoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18843036
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18844044
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843830
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843739

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 18844066) is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one is CCOc1ccc(/C=C2\S/C(=N\c3ccncc3Cl)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is NYEBAAZDDGJJNN-RQBVCSNNSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c1-2-29-18-10-8-16(9-11-18)14-21-22(28)27(17-6-4-3-5-7-17)23(30-21)26-20-12-13-25-15-19(20)24/h3-15H,2H2,1H3/b21-14-,26-23-.
What are the key properties of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 435.94 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).