(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one

C22H17N3OS — CID 137165844

IUPAC(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Nc3ccccc3)cc2)S/C1=C\c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-21-20(15-16-7-3-1-4-8-16)27-22(25-21)24-19-13-11-18(12-14-19)23-17-9-5-2-6-10-17/h1-15,23H,(H,24,25,26)/b20-15-
InChIKeyGTIMLNPUZXRMEA-HKWRFOASSA-N
MW371.47 g/mol
LogP5.32
Rot. Bonds4

About (5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one

(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one (PubChem CID 137165844) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is (5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one
PubChem CID137165844
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Nc3ccccc3)cc2)S/C1=C\c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-21-20(15-16-7-3-1-4-8-16)27-22(25-21)24-19-13-11-18(12-14-19)23-17-9-5-2-6-10-17/h1-15,23H,(H,24,25,26)/b20-15-
InChIKeyGTIMLNPUZXRMEA-HKWRFOASSA-N
XLogP5.32
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(4-anilinophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137165829
(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063495
(5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 137165846
methyl 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 137166136
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135452040
(5Z)-5-benzylidene-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
CID 135766043
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135827851
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
CID 135521092
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135482537

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one (CID 137165844) is (5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Nc3ccccc3)cc2)S/C1=C\c1ccccc1.
What is the InChIKey of (5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one?
The InChIKey is GTIMLNPUZXRMEA-HKWRFOASSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21-20(15-16-7-3-1-4-8-16)27-22(25-21)24-19-13-11-18(12-14-19)23-17-9-5-2-6-10-17/h1-15,23H,(H,24,25,26)/b20-15-.
What are the key properties of (5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one?
(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one has a molecular weight of 371.47 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 137165844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).