N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide

C24H19N3O3S — CID 18528390

IUPACN-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(NC(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H19N3O3S/c1-30-20-14-12-17(13-15-20)16-21-23(29)27(26-22(28)18-8-4-2-5-9-18)24(31-21)25-19-10-6-3-7-11-19/h2-16H,1H3,(H,26,28)/b21-16+,25-24-
InChIKeyQPUDMCWUDKUKGW-RAFWRMIMSA-N
MW429.50 g/mol
LogP4.64
Rot. Bonds5

About N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide

N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide (PubChem CID 18528390) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide
PubChem CID18528390
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(NC(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H19N3O3S/c1-30-20-14-12-17(13-15-20)16-21-23(29)27(26-22(28)18-8-4-2-5-9-18)24(31-21)25-19-10-6-3-7-11-19/h2-16H,1H3,(H,26,28)/b21-16+,25-24-
InChIKeyQPUDMCWUDKUKGW-RAFWRMIMSA-N
XLogP4.64
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5E)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484688
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
4-bromo-N-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 4054096
N-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
CID 1274211
(5Z)-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 155552606
methyl 2-[4-[(Z)-(3-benzamido-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 126183477
3-benzoyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 171132370
N-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 1240270
[4-[(E)-[3-[(4-methoxybenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzoate
CID 126349490
4-methoxy-N-[(5Z)-4-oxo-5-[(4-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 2720105
N-[5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methoxybenzamide
CID 5239419
4-methoxy-N-[(5Z)-4-oxo-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]benzamide
CID 6049312

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide?
The IUPAC name of N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide (CID 18528390) is N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide.
What is the SMILES notation for N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide?
The canonical SMILES for N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide is COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(NC(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide?
The InChIKey is QPUDMCWUDKUKGW-RAFWRMIMSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-30-20-14-12-17(13-15-20)16-21-23(29)27(26-22(28)18-8-4-2-5-9-18)24(31-21)25-19-10-6-3-7-11-19/h2-16H,1H3,(H,26,28)/b21-16+,25-24-.
What are the key properties of N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide?
N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]benzamide is sourced from PubChem (CID 18528390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).