N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

C14H18N2O2S — CID 42814485

IUPACN-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCNC(=O)CN1C(=O)C(C)SC1c1cccc(C)c1
InChIInChI=1S/C14H18N2O2S/c1-9-5-4-6-11(7-9)14-16(8-12(17)15-3)13(18)10(2)19-14/h4-7,10,14H,8H2,1-3H3,(H,15,17)
InChIKeyLGTKOUSDQJIIKR-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.70
Rot. Bonds3

About N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 42814485) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID42814485
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCNC(=O)CN1C(=O)C(C)SC1c1cccc(C)c1
InChIInChI=1S/C14H18N2O2S/c1-9-5-4-6-11(7-9)14-16(8-12(17)15-3)13(18)10(2)19-14/h4-7,10,14H,8H2,1-3H3,(H,15,17)
InChIKeyLGTKOUSDQJIIKR-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 42814485) is N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is CNC(=O)CN1C(=O)C(C)SC1c1cccc(C)c1.
What is the InChIKey of N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is LGTKOUSDQJIIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-5-4-6-11(7-9)14-16(8-12(17)15-3)13(18)10(2)19-14/h4-7,10,14H,8H2,1-3H3,(H,15,17).
What are the key properties of N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 42814485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).