2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine

C30H23N5S — CID 4139929

IUPAC2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine
SMILESC(=Cc1ccccc1)C=NN=C1SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C30H23N5S/c1-5-14-24(15-6-1)16-13-23-31-34-30-35(27-21-11-4-12-22-27)28(32-25-17-7-2-8-18-25)29(36-30)33-26-19-9-3-10-20-26/h1-23H/b16-13?,31-23?,32-28+,33-29-,34-30?
InChIKeyOPKGOUHTZCFBTC-YWEGJOIKSA-N
MW485.62 g/mol
LogP7.76
Rot. Bonds6

About 2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine

2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine (PubChem CID 4139929) has the molecular formula C30H23N5S and a molecular weight of 485.62 g/mol. Its IUPAC name is 2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine.

Molecular Properties

Compound Name2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine
PubChem CID4139929
Molecular FormulaC30H23N5S
Molecular Weight485.62 g/mol
Exact Mass485.17
IUPAC Name2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine
SMILESC(=Cc1ccccc1)C=NN=C1SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C30H23N5S/c1-5-14-24(15-6-1)16-13-23-31-34-30-35(27-21-11-4-12-22-27)28(32-25-17-7-2-8-18-25)29(36-30)33-26-19-9-3-10-20-26/h1-23H/b16-13?,31-23?,32-28+,33-29-,34-30?
InChIKeyOPKGOUHTZCFBTC-YWEGJOIKSA-N
XLogP7.76
TPSA52.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.62
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[(E)-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzene-1,3-diol
CID 135789763
2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol
CID 135789765
methyl (NE)-N'-[(E)-benzylideneamino]-N-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]carbamimidothioate
CID 22307062
methyl (NZ)-N'-phenyl-N-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]carbamimidothioate
CID 11839834
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
1-N,3-N,2-triphenylisoindole-1,3-diimine
CID 10785572
(2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine
CID 3005095
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
(2Z,5Z)-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 16628445
(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 16628453
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602

Frequently Asked Questions

What is the IUPAC name of 2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine?
The IUPAC name of 2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine (CID 4139929) is 2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine.
What is the SMILES notation for 2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine?
The canonical SMILES for 2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine is C(=Cc1ccccc1)C=NN=C1SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1.
What is the InChIKey of 2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine?
The InChIKey is OPKGOUHTZCFBTC-YWEGJOIKSA-N. The full InChI is InChI=1S/C30H23N5S/c1-5-14-24(15-6-1)16-13-23-31-34-30-35(27-21-11-4-12-22-27)28(32-25-17-7-2-8-18-25)29(36-30)33-26-19-9-3-10-20-26/h1-23H/b16-13?,31-23?,32-28+,33-29-,34-30?.
What are the key properties of 2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine?
2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine has a molecular weight of 485.62 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine is sourced from PubChem (CID 4139929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).