2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide

C15H19N3O2S — CID 3049954

IUPAC2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)/N=C1/SCCN1C
InChIInChI=1S/C15H19N3O2S/c1-11(19)16-13(10-12-6-4-3-5-7-12)14(20)17-15-18(2)8-9-21-15/h3-7,13H,8-10H2,1-2H3,(H,16,19)/b17-15+
InChIKeyOZRMQNVTYBKZRR-BMRADRMJSA-N
MW305.40 g/mol
LogP1.29
Rot. Bonds4

About 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide

2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide (PubChem CID 3049954) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide
PubChem CID3049954
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)/N=C1/SCCN1C
InChIInChI=1S/C15H19N3O2S/c1-11(19)16-13(10-12-6-4-3-5-7-12)14(20)17-15-18(2)8-9-21-15/h3-7,13H,8-10H2,1-2H3,(H,16,19)/b17-15+
InChIKeyOZRMQNVTYBKZRR-BMRADRMJSA-N
XLogP1.29
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide?
The IUPAC name of 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide (CID 3049954) is 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide.
What is the SMILES notation for 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide?
The canonical SMILES for 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide is CC(=O)NC(Cc1ccccc1)C(=O)/N=C1/SCCN1C.
What is the InChIKey of 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide?
The InChIKey is OZRMQNVTYBKZRR-BMRADRMJSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11(19)16-13(10-12-6-4-3-5-7-12)14(20)17-15-18(2)8-9-21-15/h3-7,13H,8-10H2,1-2H3,(H,16,19)/b17-15+.
What are the key properties of 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide?
2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide has a molecular weight of 305.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide is sourced from PubChem (CID 3049954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).