N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

C18H14FN3O2S — CID 135483146

IUPACN-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C2/NC(=O)C(=Cc3ccc(F)cc3)S2)cc1
InChIInChI=1S/C18H14FN3O2S/c1-11(23)20-14-6-8-15(9-7-14)21-18-22-17(24)16(25-18)10-12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,23)(H,21,22,24)
InChIKeyPHGKEVNNTVXMEZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.68
Rot. Bonds3

About N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (PubChem CID 135483146) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
PubChem CID135483146
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC NameN-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C2/NC(=O)C(=Cc3ccc(F)cc3)S2)cc1
InChIInChI=1S/C18H14FN3O2S/c1-11(23)20-14-6-8-15(9-7-14)21-18-22-17(24)16(25-18)10-12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,23)(H,21,22,24)
InChIKeyPHGKEVNNTVXMEZ-UHFFFAOYSA-N
XLogP3.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.68
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

N-[4-[[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135483195
5-[(4-tert-butylphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135444255
(5E)-5-[(4-tert-butylphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135618933
N-[4-[[4-oxo-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135483112
N-[4-[(E)-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
CID 135536220
N-[4-[[(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135507829
ethyl 4-[[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 137166070
(5Z)-2-(4-fluorophenyl)imino-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135659332
(5E)-2-(4-fluorophenyl)imino-5-[(4-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137034512
N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
CID 136857974
N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135483244
N-(4-fluorophenyl)-2-[2-methoxy-4-[(E)-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 137051023

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (CID 135483146) is N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C2/NC(=O)C(=Cc3ccc(F)cc3)S2)cc1.
What is the InChIKey of N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The InChIKey is PHGKEVNNTVXMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c1-11(23)20-14-6-8-15(9-7-14)21-18-22-17(24)16(25-18)10-12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is sourced from PubChem (CID 135483146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).