(2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine

C30H28N4OS — CID 3005095

IUPAC(2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine
SMILESC1=C(N2CCOCC2)/C(=C2\SC(=N\c3ccccc3)/C(=N\c3ccccc3)N2c2ccccc2)CC1
InChIInChI=1S/C30H28N4OS/c1-4-11-23(12-5-1)31-28-29(32-24-13-6-2-7-14-24)36-30(34(28)25-15-8-3-9-16-25)26-17-10-18-27(26)33-19-21-35-22-20-33/h1-9,11-16,18H,10,17,19-22H2/b30-26-,31-28+,32-29-
InChIKeyNCJVLFFKSDUQSL-UXJVWMGRSA-N
MW492.65 g/mol
LogP6.92
Rot. Bonds4

About (2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine

(2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine (PubChem CID 3005095) has the molecular formula C30H28N4OS and a molecular weight of 492.65 g/mol. Its IUPAC name is (2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine.

Molecular Properties

Compound Name(2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine
PubChem CID3005095
Molecular FormulaC30H28N4OS
Molecular Weight492.65 g/mol
Exact Mass492.20
IUPAC Name(2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine
SMILESC1=C(N2CCOCC2)/C(=C2\SC(=N\c3ccccc3)/C(=N\c3ccccc3)N2c2ccccc2)CC1
InChIInChI=1S/C30H28N4OS/c1-4-11-23(12-5-1)31-28-29(32-24-13-6-2-7-14-24)36-30(34(28)25-15-8-3-9-16-25)26-17-10-18-27(26)33-19-21-35-22-20-33/h1-9,11-16,18H,10,17,19-22H2/b30-26-,31-28+,32-29-
InChIKeyNCJVLFFKSDUQSL-UXJVWMGRSA-N
XLogP6.92
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine?
The IUPAC name of (2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine (CID 3005095) is (2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine.
What is the SMILES notation for (2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine?
The canonical SMILES for (2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine is C1=C(N2CCOCC2)/C(=C2\SC(=N\c3ccccc3)/C(=N\c3ccccc3)N2c2ccccc2)CC1.
What is the InChIKey of (2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine?
The InChIKey is NCJVLFFKSDUQSL-UXJVWMGRSA-N. The full InChI is InChI=1S/C30H28N4OS/c1-4-11-23(12-5-1)31-28-29(32-24-13-6-2-7-14-24)36-30(34(28)25-15-8-3-9-16-25)26-17-10-18-27(26)33-19-21-35-22-20-33/h1-9,11-16,18H,10,17,19-22H2/b30-26-,31-28+,32-29-.
What are the key properties of (2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine?
(2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine has a molecular weight of 492.65 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-4-N,5-N,3-triphenyl-1,3-thiazolidine-4,5-diimine is sourced from PubChem (CID 3005095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).