N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide

C14H13N3O2S — CID 126477142

IUPACN-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\SCCN1CC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H13N3O2S/c1-10(18)16-14-17(6-7-20-14)9-13(19)12-4-2-11(8-15)3-5-12/h2-5H,6-7,9H2,1H3/b16-14-
InChIKeyXELNCZSEGYJVIQ-PEZBUJJGSA-N
MW287.34 g/mol
LogP1.69
Rot. Bonds3

About N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide

N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 126477142) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID126477142
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\SCCN1CC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H13N3O2S/c1-10(18)16-14-17(6-7-20-14)9-13(19)12-4-2-11(8-15)3-5-12/h2-5H,6-7,9H2,1H3/b16-14-
InChIKeyXELNCZSEGYJVIQ-PEZBUJJGSA-N
XLogP1.69
TPSA73.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide (CID 126477142) is N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide is CC(=O)/N=C1\SCCN1CC(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is XELNCZSEGYJVIQ-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10(18)16-14-17(6-7-20-14)9-13(19)12-4-2-11(8-15)3-5-12/h2-5H,6-7,9H2,1H3/b16-14-.
What are the key properties of N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide?
N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 287.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-cyanophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 126477142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).