2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide

C14H19N3O2S — CID 136805731

IUPAC2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide
SMILESNC(=O)COCC/N=C1/NC(Cc2ccccc2)CS1
InChIInChI=1S/C14H19N3O2S/c15-13(18)9-19-7-6-16-14-17-12(10-20-14)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,18)(H,16,17)
InChIKeyKZQNATWPVPNPEM-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.79
Rot. Bonds7

About 2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide

2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide (PubChem CID 136805731) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide
PubChem CID136805731
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide
SMILESNC(=O)COCC/N=C1/NC(Cc2ccccc2)CS1
InChIInChI=1S/C14H19N3O2S/c15-13(18)9-19-7-6-16-14-17-12(10-20-14)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,18)(H,16,17)
InChIKeyKZQNATWPVPNPEM-UHFFFAOYSA-N
XLogP0.79
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide (CID 136805731) is 2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide is NC(=O)COCC/N=C1/NC(Cc2ccccc2)CS1.
What is the InChIKey of 2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide?
The InChIKey is KZQNATWPVPNPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-13(18)9-19-7-6-16-14-17-12(10-20-14)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide?
2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide has a molecular weight of 293.39 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide is sourced from PubChem (CID 136805731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).