(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one

C16H14N2OS — CID 805397

IUPAC(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccccc2)N1N=Cc1ccccc1
InChIInChI=1S/C16H14N2OS/c19-15-12-20-16(14-9-5-2-6-10-14)18(15)17-11-13-7-3-1-4-8-13/h1-11,16H,12H2/t16-/m0/s1
InChIKeyFJBONUDODNVXMN-INIZCTEOSA-N
MW282.37 g/mol
LogP3.29
Rot. Bonds3

About (2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one

(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 805397) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is (2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID805397
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccccc2)N1N=Cc1ccccc1
InChIInChI=1S/C16H14N2OS/c19-15-12-20-16(14-9-5-2-6-10-14)18(15)17-11-13-7-3-1-4-8-13/h1-11,16H,12H2/t16-/m0/s1
InChIKeyFJBONUDODNVXMN-INIZCTEOSA-N
XLogP3.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]imino]-1,3-diazinane-4,6-dione
CID 136819042
2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one
CID 171716360
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
(2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one
CID 40531961
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
CID 10847476
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 10633556
2-(4-oxo-2-phenyl-(213C)1,3-thiazolidin-3-yl)acetamide
CID 10705033
3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 91945300
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione
CID 177410052
N-[(Z)-(3-iodophenyl)methylideneamino]-4-[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzamide
CID 7046110
3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 53497781

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one (CID 805397) is (2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one is O=C1CS[C@@H](c2ccccc2)N1N=Cc1ccccc1.
What is the InChIKey of (2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is FJBONUDODNVXMN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-15-12-20-16(14-9-5-2-6-10-14)18(15)17-11-13-7-3-1-4-8-13/h1-11,16H,12H2/t16-/m0/s1.
What are the key properties of (2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one?
(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 282.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 805397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).