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

C18H16ClN3OS — CID 18843775

IUPAC(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccccc2C)S/C1=N/c1ccncc1Cl
InChIInChI=1S/C18H16ClN3OS/c1-3-22-17(23)16(10-13-7-5-4-6-12(13)2)24-18(22)21-15-8-9-20-11-14(15)19/h4-11H,3H2,1-2H3/b16-10-,21-18+
InChIKeyQZCDYLLOERGBNF-UTYQVYOFSA-N
MW357.87 g/mol
LogP4.67
Rot. Bonds3

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

(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 18843775) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID18843775
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccccc2C)S/C1=N/c1ccncc1Cl
InChIInChI=1S/C18H16ClN3OS/c1-3-22-17(23)16(10-13-7-5-4-6-12(13)2)24-18(22)21-15-8-9-20-11-14(15)19/h4-11H,3H2,1-2H3/b16-10-,21-18+
InChIKeyQZCDYLLOERGBNF-UTYQVYOFSA-N
XLogP4.67
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(2-methylphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18843981
(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]-3-ethyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843784
(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 18843875
(5Z)-3-ethyl-2-ethylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18838722
(2E,5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845814
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 18843842
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-methylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18843880
(5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486909
(5E)-5-[(4-bromophenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486949
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842290
(5Z)-5-[(2-chlorophenyl)methylidene]-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27436574

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 18843775) is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2ccccc2C)S/C1=N/c1ccncc1Cl.
What is the InChIKey of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QZCDYLLOERGBNF-UTYQVYOFSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-3-22-17(23)16(10-13-7-5-4-6-12(13)2)24-18(22)21-15-8-9-20-11-14(15)19/h4-11H,3H2,1-2H3/b16-10-,21-18+.
What are the key properties of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 357.87 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).