(2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C19H19N3O2S2 — CID 18844582

IUPAC(2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2O)S/C(=N/c2nccs2)N1C1CCCCC1
InChIInChI=1S/C19H19N3O2S2/c23-15-9-5-4-6-13(15)12-16-17(24)22(14-7-2-1-3-8-14)19(26-16)21-18-20-10-11-25-18/h4-6,9-12,14,23H,1-3,7-8H2/b16-12-,21-19+
InChIKeyWFTYDDOFXGDIFA-ROLOMRMFSA-N
MW385.51 g/mol
LogP4.79
Rot. Bonds3

About (2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

(2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 18844582) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID18844582
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name(2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2O)S/C(=N/c2nccs2)N1C1CCCCC1
InChIInChI=1S/C19H19N3O2S2/c23-15-9-5-4-6-13(15)12-16-17(24)22(14-7-2-1-3-8-14)19(26-16)21-18-20-10-11-25-18/h4-6,9-12,14,23H,1-3,7-8H2/b16-12-,21-19+
InChIKeyWFTYDDOFXGDIFA-ROLOMRMFSA-N
XLogP4.79
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844622
(2E,5E)-3-cyclohexyl-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844679
(2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842436
(2E,5E)-3-cyclohexyl-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844611
5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3742421
(2E,5Z)-5-benzylidene-3-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845093
(2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842525
(2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18843061
(2E,5Z)-3-cyclohexyl-5-[(3-methylphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18846118
3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3672696
3-cyclohexyl-2-cyclohexylimino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 3896653
(2E,5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844194

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 18844582) is (2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccccc2O)S/C(=N/c2nccs2)N1C1CCCCC1.
What is the InChIKey of (2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is WFTYDDOFXGDIFA-ROLOMRMFSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-15-9-5-4-6-13(15)12-16-17(24)22(14-7-2-1-3-8-14)19(26-16)21-18-20-10-11-25-18/h4-6,9-12,14,23H,1-3,7-8H2/b16-12-,21-19+.
What are the key properties of (2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
(2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 385.51 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-cyclohexyl-5-[(2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).