2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one

C21H17N3OS — CID 141166606

IUPAC2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one
SMILESCC(=C1S/C(=N\c2ccccc2)NC1=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H17N3OS/c1-15(16-8-7-11-18(14-16)24-12-5-6-13-24)19-20(25)23-21(26-19)22-17-9-3-2-4-10-17/h2-14H,1H3,(H,22,23,25)
InChIKeyCZPSFGJIHYZQQB-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.76
Rot. Bonds3

About 2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one

2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one (PubChem CID 141166606) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one
PubChem CID141166606
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one
SMILESCC(=C1S/C(=N\c2ccccc2)NC1=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H17N3OS/c1-15(16-8-7-11-18(14-16)24-12-5-6-13-24)19-20(25)23-21(26-19)22-17-9-3-2-4-10-17/h2-14H,1H3,(H,22,23,25)
InChIKeyCZPSFGJIHYZQQB-UHFFFAOYSA-N
XLogP4.76
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
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

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
5-[[(5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135834647
5-[[(5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135834646
methyl 2-[[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834842
methyl 2-[[(5Z)-5-[1-(3-aminophenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834848
(5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135834449
2-(4-chlorophenyl)imino-5-[9H-fluoren-1-yl(phenyl)methylidene]-1,3-thiazolidin-4-one
CID 141435110
5-[naphthalen-2-yl(phenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 141182002
2-[4-[[(5E)-4-oxo-5-[(4-pyrrol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetic acid
CID 135541045
3-[(E)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135723087
3-[[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135948626

Frequently Asked Questions

What is the IUPAC name of 2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one (CID 141166606) is 2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one is CC(=C1S/C(=N\c2ccccc2)NC1=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of 2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one?
The InChIKey is CZPSFGJIHYZQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-15(16-8-7-11-18(14-16)24-12-5-6-13-24)19-20(25)23-21(26-19)22-17-9-3-2-4-10-17/h2-14H,1H3,(H,22,23,25).
What are the key properties of 2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one?
2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one has a molecular weight of 359.45 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 141166606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).