(5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one

C18H18N2OS — CID 139193772

IUPAC(5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C18H18N2OS/c1-2-20-17(21)16(13-14-9-5-3-6-10-14)22-18(20)19-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3/b19-18-/t16-/m0/s1
InChIKeyFCJZXLWQNXINAM-NXDJFEHLSA-N
MW310.42 g/mol
LogP3.88
Rot. Bonds4

About (5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one

(5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 139193772) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is (5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID139193772
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name(5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C18H18N2OS/c1-2-20-17(21)16(13-14-9-5-3-6-10-14)22-18(20)19-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3/b19-18-/t16-/m0/s1
InChIKeyFCJZXLWQNXINAM-NXDJFEHLSA-N
XLogP3.88
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one (CID 139193772) is (5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one is CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\c1ccccc1.
What is the InChIKey of (5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is FCJZXLWQNXINAM-NXDJFEHLSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-2-20-17(21)16(13-14-9-5-3-6-10-14)22-18(20)19-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3/b19-18-/t16-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one?
(5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 310.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 139193772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).