2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate

C26H18N3O3S- — CID 6289240

IUPAC2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate
SMILESO=C([O-])Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C26H19N3O3S/c30-24(31)17-28-16-18(21-13-7-8-14-22(21)28)15-23-25(32)29(20-11-5-2-6-12-20)26(33-23)27-19-9-3-1-4-10-19/h1-16H,17H2,(H,30,31)/p-1/b23-15-,27-26-
InChIKeyQIEDPFOXYMLHQS-WTTGCPTKSA-M
MW452.52 g/mol
LogP4.20
Rot. Bonds5

About 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate

2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate (PubChem CID 6289240) has the molecular formula C26H18N3O3S- and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate.

Molecular Properties

Compound Name2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate
PubChem CID6289240
Molecular FormulaC26H18N3O3S-
Molecular Weight452.52 g/mol
Exact Mass452.11
IUPAC Name2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate
SMILESO=C([O-])Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C26H19N3O3S/c30-24(31)17-28-16-18(21-13-7-8-14-22(21)28)15-23-25(32)29(20-11-5-2-6-12-20)26(33-23)27-19-9-3-1-4-10-19/h1-16H,17H2,(H,30,31)/p-1/b23-15-,27-26-
InChIKeyQIEDPFOXYMLHQS-WTTGCPTKSA-M
XLogP4.20
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate with MolForge

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Related Compounds

2-[3-[(Z)-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 6058252
2-[3-[(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 4310912
2-[3-[[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid
CID 5024109
4-[[(5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6208643
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 118542137
methyl 3-[[5-[[1-(2-methoxy-2-oxoethyl)indol-3-yl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 5036209
(5Z)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126125335
5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 2858828
(5Z)-5-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 126148246
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21374273
(5Z)-3-phenyl-2-phenylimino-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 2248748
(5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 44886232

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate?
The IUPAC name of 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate (CID 6289240) is 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate.
What is the SMILES notation for 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate?
The canonical SMILES for 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate is O=C([O-])Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21.
What is the InChIKey of 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate?
The InChIKey is QIEDPFOXYMLHQS-WTTGCPTKSA-M. The full InChI is InChI=1S/C26H19N3O3S/c30-24(31)17-28-16-18(21-13-7-8-14-22(21)28)15-23-25(32)29(20-11-5-2-6-12-20)26(33-23)27-19-9-3-1-4-10-19/h1-16H,17H2,(H,30,31)/p-1/b23-15-,27-26-.
What are the key properties of 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate?
2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate has a molecular weight of 452.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate is sourced from PubChem (CID 6289240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).