3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one

C27H20N2OS — CID 10526162

IUPAC3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N(c2ccccc2)/C(=N/c2ccccc2)SC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20N2OS/c30-25-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)31-26(28-23-17-9-3-10-18-23)29(25)24-19-11-4-12-20-24/h1-20H/b28-26-
InChIKeyQXZMDSRZYZNPGP-SGEDCAFJSA-N
MW420.54 g/mol
LogP6.40
Rot. Bonds4

About 3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one

3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 10526162) has the molecular formula C27H20N2OS and a molecular weight of 420.54 g/mol. Its IUPAC name is 3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID10526162
Molecular FormulaC27H20N2OS
Molecular Weight420.54 g/mol
Exact Mass420.13
IUPAC Name3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N(c2ccccc2)/C(=N/c2ccccc2)SC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20N2OS/c30-25-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)31-26(28-23-17-9-3-10-18-23)29(25)24-19-11-4-12-20-24/h1-20H/b28-26-
InChIKeyQXZMDSRZYZNPGP-SGEDCAFJSA-N
XLogP6.40
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 56.40
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

(2S)-2-tert-butyl-2,5-diphenyl-6-phenylimino-1,3,5-thiadiazinan-4-one
CID 2328346
(5Z)-5-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 56694403
(2S)-5-(4-chlorophenyl)-6-(4-chlorophenyl)imino-2-phenyl-2-(trifluoromethyl)-1,3,5-thiadiazinan-4-one
CID 2323734
(2R)-5-(4-chlorophenyl)-6-(4-chlorophenyl)imino-2-phenyl-2-(trifluoromethyl)-1,3,5-thiadiazinan-4-one
CID 2323733
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 118542137
(5E)-5-[[4-(furan-2-yl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 44515522
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21374273
5-[(5-bromofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1240976
(5Z)-3-phenyl-2-phenylimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 2248748
(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126025956
5-[(5-nitrofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1211318
5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 4545472

Frequently Asked Questions

What is the IUPAC name of 3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 10526162) is 3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1N(c2ccccc2)/C(=N/c2ccccc2)SC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is QXZMDSRZYZNPGP-SGEDCAFJSA-N. The full InChI is InChI=1S/C27H20N2OS/c30-25-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)31-26(28-23-17-9-3-10-18-23)29(25)24-19-11-4-12-20-24/h1-20H/b28-26-.
What are the key properties of 3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one?
3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 420.54 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 10526162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).