N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide

C14H14ClN3O2S — CID 135460854

IUPACN-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
SMILESC=CC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C14H14ClN3O2S/c1-2-7-16-14-18-13(20)11(21-14)8-12(19)17-10-5-3-9(15)4-6-10/h2-6,11H,1,7-8H2,(H,17,19)(H,16,18,20)
InChIKeyQWTNNZCOXBUMHC-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.44
Rot. Bonds5

About N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide

N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 135460854) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID135460854
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC NameN-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
SMILESC=CC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C14H14ClN3O2S/c1-2-7-16-14-18-13(20)11(21-14)8-12(19)17-10-5-3-9(15)4-6-10/h2-6,11H,1,7-8H2,(H,17,19)(H,16,18,20)
InChIKeyQWTNNZCOXBUMHC-UHFFFAOYSA-N
XLogP2.44
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide (CID 135460854) is N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide is C=CC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is QWTNNZCOXBUMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-2-7-16-14-18-13(20)11(21-14)8-12(19)17-10-5-3-9(15)4-6-10/h2-6,11H,1,7-8H2,(H,17,19)(H,16,18,20).
What are the key properties of N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 323.81 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 135460854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).