(5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one

C22H22N2OS — CID 54583721

IUPAC(5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C22H22N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2/b20-16+,23-22-
InChIKeyGREKRRJHAWDIHC-SUJVXMJXSA-N
MW362.50 g/mol
LogP5.62
Rot. Bonds3

About (5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 54583721) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID54583721
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name(5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C22H22N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2/b20-16+,23-22-
InChIKeyGREKRRJHAWDIHC-SUJVXMJXSA-N
XLogP5.62
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
5-[(4-Methylphenyl)methylene]-2-(phenylamino)-4(5h)-thiazolone
CID 135580376
5-(4-Dimethylamino-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 715217
(2E,5E)-5-(4-nitrobenzylidene)-3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylimino)-1,3-thiazolidin-4-one
CID 1897832
(2E,5E)-5-(3-nitrobenzylidene)-3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylimino)-1,3-thiazolidin-4-one
CID 1907267
(2Z,5Z)-5-benzylidene-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1592196
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236930
5-[4-(Dimethylamino)benzylidene]-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 135403926
5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135498174
(2E,5Z)-5-(4-fluorobenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135518519
(7Z)-7-benzylidene-3-(4-ethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1888918
(5Z)-3-allyl-2-allylimino-5-[4-(dimethylamino)benzylidene]thiazolidin-4-one
CID 1978270

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one (CID 54583721) is (5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1.
What is the InChIKey of (5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is GREKRRJHAWDIHC-SUJVXMJXSA-N. The full InChI is InChI=1S/C22H22N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2/b20-16+,23-22-.
What are the key properties of (5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 362.50 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 54583721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).