N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

C21H19N3O2S — CID 135483244

IUPACN-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C2/NC(=O)C(=CC(C)=Cc3ccccc3)S2)cc1
InChIInChI=1S/C21H19N3O2S/c1-14(12-16-6-4-3-5-7-16)13-19-20(26)24-21(27-19)23-18-10-8-17(9-11-18)22-15(2)25/h3-13H,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyUUPAYBMHKLCRFA-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.48
Rot. Bonds4

About N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (PubChem CID 135483244) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
PubChem CID135483244
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C2/NC(=O)C(=CC(C)=Cc3ccccc3)S2)cc1
InChIInChI=1S/C21H19N3O2S/c1-14(12-16-6-4-3-5-7-16)13-19-20(26)24-21(27-19)23-18-10-8-17(9-11-18)22-15(2)25/h3-13H,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyUUPAYBMHKLCRFA-UHFFFAOYSA-N
XLogP4.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.48
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

2-[4-(diethylamino)phenyl]imino-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidin-4-one
CID 135523342
3-[[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135948626
2-(2,6-dimethylphenyl)imino-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidin-4-one
CID 136577102
(5Z)-2-(2-methylphenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135518502
2-[[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135765922
N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135483146
(5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135539299
N-[4-[[4-oxo-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135483112
(5Z)-2-(2,4-dimethylphenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135500988
(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one
CID 137165844
N-[4-[(E)-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
CID 135536220
N-[4-[[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135483195

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (CID 135483244) is N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C2/NC(=O)C(=CC(C)=Cc3ccccc3)S2)cc1.
What is the InChIKey of N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The InChIKey is UUPAYBMHKLCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-14(12-16-6-4-3-5-7-16)13-19-20(26)24-21(27-19)23-18-10-8-17(9-11-18)22-15(2)25/h3-13H,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is sourced from PubChem (CID 135483244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).