(2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile

C34H21ClN4OSSe — CID 140718523

IUPAC(2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=c1\s/c(=C\c2ccc(N(c3ccc(Cl)cc3)c3ccc(C)c4ccccc34)[se]2)c(=O)n1-c1ccccc1
InChIInChI=1S/C34H21ClN4OSSe/c1-22-12-18-30(28-11-7-6-10-27(22)28)38(25-15-13-23(35)14-16-25)32-19-17-26(42-32)20-31-33(40)39(24-8-4-3-5-9-24)34(41-31)29(21-36)37-2/h3-20H,1H3/b31-20-,34-29-
InChIKeyUWCWUOXYYZCNIL-OYOJJOCDSA-N
MW648.05 g/mol
LogP6.92
Rot. Bonds5

About (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile

(2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile (PubChem CID 140718523) has the molecular formula C34H21ClN4OSSe and a molecular weight of 648.05 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile
PubChem CID140718523
Molecular FormulaC34H21ClN4OSSe
Molecular Weight648.05 g/mol
Exact Mass648.03
IUPAC Name(2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=c1\s/c(=C\c2ccc(N(c3ccc(Cl)cc3)c3ccc(C)c4ccccc34)[se]2)c(=O)n1-c1ccccc1
InChIInChI=1S/C34H21ClN4OSSe/c1-22-12-18-30(28-11-7-6-10-27(22)28)38(25-15-13-23(35)14-16-25)32-19-17-26(42-32)20-31-33(40)39(24-8-4-3-5-9-24)34(41-31)29(21-36)37-2/h3-20H,1H3/b31-20-,34-29-
InChIKeyUWCWUOXYYZCNIL-OYOJJOCDSA-N
XLogP6.92
TPSA53.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.05
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile?
The IUPAC name of (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile (CID 140718523) is (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile.
What is the SMILES notation for (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile?
The canonical SMILES for (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]/C(C#N)=c1\s/c(=C\c2ccc(N(c3ccc(Cl)cc3)c3ccc(C)c4ccccc34)[se]2)c(=O)n1-c1ccccc1.
What is the InChIKey of (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile?
The InChIKey is UWCWUOXYYZCNIL-OYOJJOCDSA-N. The full InChI is InChI=1S/C34H21ClN4OSSe/c1-22-12-18-30(28-11-7-6-10-27(22)28)38(25-15-13-23(35)14-16-25)32-19-17-26(42-32)20-31-33(40)39(24-8-4-3-5-9-24)34(41-31)29(21-36)37-2/h3-20H,1H3/b31-20-,34-29-.
What are the key properties of (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile?
(2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile has a molecular weight of 648.05 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 140718523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).