N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide

C14H15N3O2S — CID 3704041

IUPACN-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)CSC1c1ccc(C#N)cc1
InChIInChI=1S/C14H15N3O2S/c1-10(18)16-6-7-17-13(19)9-20-14(17)12-4-2-11(8-15)3-5-12/h2-5,14H,6-7,9H2,1H3,(H,16,18)
InChIKeyUMTIHHUGXHHVAW-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.27
Rot. Bonds4

About N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide

N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide (PubChem CID 3704041) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide
PubChem CID3704041
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)CSC1c1ccc(C#N)cc1
InChIInChI=1S/C14H15N3O2S/c1-10(18)16-6-7-17-13(19)9-20-14(17)12-4-2-11(8-15)3-5-12/h2-5,14H,6-7,9H2,1H3,(H,16,18)
InChIKeyUMTIHHUGXHHVAW-UHFFFAOYSA-N
XLogP1.27
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide (CID 3704041) is N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide is CC(=O)NCCN1C(=O)CSC1c1ccc(C#N)cc1.
What is the InChIKey of N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
The InChIKey is UMTIHHUGXHHVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10(18)16-6-7-17-13(19)9-20-14(17)12-4-2-11(8-15)3-5-12/h2-5,14H,6-7,9H2,1H3,(H,16,18).
What are the key properties of N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 3704041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).