(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one

C22H16FN3OS — CID 18843004

IUPAC(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/S/C(=C\c3ccccc3F)C(=O)N2c2ccccc2)n1
InChIInChI=1S/C22H16FN3OS/c1-15-8-7-13-20(24-15)25-22-26(17-10-3-2-4-11-17)21(27)19(28-22)14-16-9-5-6-12-18(16)23/h2-14H,1H3/b19-14-,25-22+
InChIKeyNQRBGKCUAGEKQB-ORONYANGSA-N
MW389.46 g/mol
LogP5.34
Rot. Bonds3

About (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one

(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 18843004) has the molecular formula C22H16FN3OS and a molecular weight of 389.46 g/mol. Its IUPAC name is (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID18843004
Molecular FormulaC22H16FN3OS
Molecular Weight389.46 g/mol
Exact Mass389.10
IUPAC Name(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/S/C(=C\c3ccccc3F)C(=O)N2c2ccccc2)n1
InChIInChI=1S/C22H16FN3OS/c1-15-8-7-13-20(24-15)25-22-26(17-10-3-2-4-11-17)21(27)19(28-22)14-16-9-5-6-12-18(16)23/h2-14H,1H3/b19-14-,25-22+
InChIKeyNQRBGKCUAGEKQB-ORONYANGSA-N
XLogP5.34
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.34
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

(2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842695
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18843010
(2E,5Z)-5-[(4-ethoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18843036
methyl 4-[(Z)-[(2E)-2-[(6-methyl-2-pyridinyl)imino]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 18843003
(2E,5Z)-2-[(6-methyl-2-pyridinyl)imino]-5-[(3-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18843028
(5Z)-5-[(2-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251958
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21374273
(5Z)-3-phenyl-2-phenylimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 2248748
(5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 44886232
(2E,5Z)-3-phenyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842113
5-[(2,3-difluorophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 72689043
(5Z)-5-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 56694403

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one (CID 18843004) is (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one is Cc1cccc(/N=C2/S/C(=C\c3ccccc3F)C(=O)N2c2ccccc2)n1.
What is the InChIKey of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is NQRBGKCUAGEKQB-ORONYANGSA-N. The full InChI is InChI=1S/C22H16FN3OS/c1-15-8-7-13-20(24-15)25-22-26(17-10-3-2-4-11-17)21(27)19(28-22)14-16-9-5-6-12-18(16)23/h2-14H,1H3/b19-14-,25-22+.
What are the key properties of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 389.46 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).