(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C24H27N3OS — CID 5290095

IUPAC(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H27N3OS/c1-26(2)20-15-13-18(14-16-20)17-22-23(28)27(21-11-7-4-8-12-21)24(29-22)25-19-9-5-3-6-10-19/h3,5-6,9-10,13-17,21H,4,7-8,11-12H2,1-2H3/b22-17+,25-24-
InChIKeyKRYNRGNGULVGHD-AIQBXGKYSA-N
MW405.57 g/mol
LogP5.69
Rot. Bonds4

About (5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 5290095) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is (5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID5290095
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H27N3OS/c1-26(2)20-15-13-18(14-16-20)17-22-23(28)27(21-11-7-4-8-12-21)24(29-22)25-19-9-5-3-6-10-19/h3,5-6,9-10,13-17,21H,4,7-8,11-12H2,1-2H3/b22-17+,25-24-
InChIKeyKRYNRGNGULVGHD-AIQBXGKYSA-N
XLogP5.69
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6253250
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 18843644
5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5166618
(5Z)-3-cyclohexyl-5-[(3,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 96883789
3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 4596884
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21206948
5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3742421
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 6367517
4-[[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 21212556
(5Z)-3-cyclohexyl-2-pyridin-3-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842628
(5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842544
3-[[(5Z)-3-cyclohexyl-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846596

Frequently Asked Questions

What is the IUPAC name of (5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 5290095) is (5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of (5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is KRYNRGNGULVGHD-AIQBXGKYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-26(2)20-15-13-18(14-16-20)17-22-23(28)27(21-11-7-4-8-12-21)24(29-22)25-19-9-5-3-6-10-19/h3,5-6,9-10,13-17,21H,4,7-8,11-12H2,1-2H3/b22-17+,25-24-.
What are the key properties of (5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 405.57 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 5290095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).