2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one

C29H19ClN2OS — CID 141435110

IUPAC2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Cl)cc2)SC1=C(c1ccccc1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H19ClN2OS/c30-20-13-15-21(16-14-20)31-29-32-28(33)27(34-29)26(18-7-2-1-3-8-18)24-12-6-11-23-22-10-5-4-9-19(22)17-25(23)24/h1-16H,17H2,(H,31,32,33)
InChIKeyAYWOUZRFXFTVRM-UHFFFAOYSA-N
MW479.00 g/mol
LogP7.22
Rot. Bonds3

About 2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one

2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 141435110) has the molecular formula C29H19ClN2OS and a molecular weight of 479.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID141435110
Molecular FormulaC29H19ClN2OS
Molecular Weight479.00 g/mol
Exact Mass478.09
IUPAC Name2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Cl)cc2)SC1=C(c1ccccc1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H19ClN2OS/c30-20-13-15-21(16-14-20)31-29-32-28(33)27(34-29)26(18-7-2-1-3-8-18)24-12-6-11-23-22-10-5-4-9-19(22)17-25(23)24/h1-16H,17H2,(H,31,32,33)
InChIKeyAYWOUZRFXFTVRM-UHFFFAOYSA-N
XLogP7.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.00
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one
CID 141166606
5-[naphthalen-2-yl(phenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 141182002
1-(1-phenylethenyl)-9H-fluorene
CID 151698887
[5-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] benzoate
CID 137069573
[2-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzoate
CID 137069514
2-[(E)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135718421
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137088984
9H-fluorene-1-carboxamide
CID 18474131
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137137178
methyl 4-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135404434
5-[[(5Z)-5-[1-(3-aminophenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135834650
N-[4-[[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135834678

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one (CID 141435110) is 2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Cl)cc2)SC1=C(c1ccccc1)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is AYWOUZRFXFTVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19ClN2OS/c30-20-13-15-21(16-14-20)31-29-32-28(33)27(34-29)26(18-7-2-1-3-8-18)24-12-6-11-23-22-10-5-4-9-19(22)17-25(23)24/h1-16H,17H2,(H,31,32,33).
What are the key properties of 2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 479.00 g/mol, XLogP of 7.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 141435110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).