N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide

C15H16ClN3O2S — CID 6861132

IUPACN-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide
SMILESC=CCN1C(=O)[C@@H](Cc2ccc(Cl)cc2)S/C1=N/NC(C)=O
InChIInChI=1S/C15H16ClN3O2S/c1-3-8-19-14(21)13(22-15(19)18-17-10(2)20)9-11-4-6-12(16)7-5-11/h3-7,13H,1,8-9H2,2H3,(H,17,20)/b18-15+/t13-/m1/s1
InChIKeyMVPPWODZOLPSCD-MIKWNVPKSA-N
MW337.83 g/mol
LogP2.42
Rot. Bonds5

About N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide

N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide (PubChem CID 6861132) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide
PubChem CID6861132
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC NameN-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide
SMILESC=CCN1C(=O)[C@@H](Cc2ccc(Cl)cc2)S/C1=N/NC(C)=O
InChIInChI=1S/C15H16ClN3O2S/c1-3-8-19-14(21)13(22-15(19)18-17-10(2)20)9-11-4-6-12(16)7-5-11/h3-7,13H,1,8-9H2,2H3,(H,17,20)/b18-15+/t13-/m1/s1
InChIKeyMVPPWODZOLPSCD-MIKWNVPKSA-N
XLogP2.42
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2576445
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]tetradecanamide
CID 145950830
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]hexadecanamide
CID 145957422
N-[4-Acetyl-5-(4-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-YL]acetamide
CID 2872033
5-[(4-Chlorophenyl)methyl]-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 4568470
(2Z,5R)-5-[(4-chlorophenyl)methyl]-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 6995271
2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide
CID 57093182
N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 741607
N-[(2S)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 741608
N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide
CID 3401477
2-[5-[(4-Chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylazanium
CID 4483294
3-(2-Aminoethyl)-5-(4-chlorobenzyl)thiazolidine-2,4-dione
CID 4483295

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide?
The IUPAC name of N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide (CID 6861132) is N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide.
What is the SMILES notation for N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide?
The canonical SMILES for N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide is C=CCN1C(=O)[C@@H](Cc2ccc(Cl)cc2)S/C1=N/NC(C)=O.
What is the InChIKey of N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide?
The InChIKey is MVPPWODZOLPSCD-MIKWNVPKSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-3-8-19-14(21)13(22-15(19)18-17-10(2)20)9-11-4-6-12(16)7-5-11/h3-7,13H,1,8-9H2,2H3,(H,17,20)/b18-15+/t13-/m1/s1.
What are the key properties of N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide?
N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide has a molecular weight of 337.83 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(5R)-5-[(4-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]acetamide is sourced from PubChem (CID 6861132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).