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

C16H12N2OS — CID 135411779

IUPAC(5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1
InChIInChI=1S/C16H12N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11-
InChIKeyAXMGOWZVQOLCDR-KAMYIIQDSA-N
MW280.35 g/mol
LogP3.58
Rot. Bonds2

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

(5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135411779) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135411779
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1
InChIInChI=1S/C16H12N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11-
InChIKeyAXMGOWZVQOLCDR-KAMYIIQDSA-N
XLogP3.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
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

2-p-Tolylamino-thiazol-4-one
CID 135411781
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
5-[(4-Methylphenyl)methylene]-2-(phenylamino)-4(5h)-thiazolone
CID 135580376
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
2-(3,5-Dimethyl-phenylimino)-thiazolidin-4-one
CID 135459529
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
(2Z,5Z)-5-benzylidene-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1592196
(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445
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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one (CID 135411779) is (5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1.
What is the InChIKey of (5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is AXMGOWZVQOLCDR-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11-.
What are the key properties of (5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 280.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135411779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).