(2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C19H11ClFN3OS2 — CID 18844577

IUPAC(2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2c(F)cccc2Cl)S/C(=N/c2nccs2)N1c1ccccc1
InChIInChI=1S/C19H11ClFN3OS2/c20-14-7-4-8-15(21)13(14)11-16-17(25)24(12-5-2-1-3-6-12)19(27-16)23-18-22-9-10-26-18/h1-11H/b16-11-,23-19+
InChIKeyPZRFZQNRMVYBCZ-RFTHPBJJSA-N
MW415.90 g/mol
LogP5.74
Rot. Bonds3

About (2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

(2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 18844577) has the molecular formula C19H11ClFN3OS2 and a molecular weight of 415.90 g/mol. Its IUPAC name is (2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID18844577
Molecular FormulaC19H11ClFN3OS2
Molecular Weight415.90 g/mol
Exact Mass415.00
IUPAC Name(2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2c(F)cccc2Cl)S/C(=N/c2nccs2)N1c1ccccc1
InChIInChI=1S/C19H11ClFN3OS2/c20-14-7-4-8-15(21)13(14)11-16-17(25)24(12-5-2-1-3-6-12)19(27-16)23-18-22-9-10-26-18/h1-11H/b16-11-,23-19+
InChIKeyPZRFZQNRMVYBCZ-RFTHPBJJSA-N
XLogP5.74
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.90
LogP ≤ 55.74
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

(2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844576
(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844481
(2E,5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844496
(2E,5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844498
(2E,5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844503
(5Z)-5-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 56694403
5-[(2-chloro-6-fluorophenyl)methylidene]-3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1498682
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842228
(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18843004
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836720
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18839009
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18843010

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 18844577) is (2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is O=C1/C(=C/c2c(F)cccc2Cl)S/C(=N/c2nccs2)N1c1ccccc1.
What is the InChIKey of (2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is PZRFZQNRMVYBCZ-RFTHPBJJSA-N. The full InChI is InChI=1S/C19H11ClFN3OS2/c20-14-7-4-8-15(21)13(14)11-16-17(25)24(12-5-2-1-3-6-12)19(27-16)23-18-22-9-10-26-18/h1-11H/b16-11-,23-19+.
What are the key properties of (2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 415.90 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).