N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C13H16N2O3S — CID 18093399

IUPACN-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCSC1=O
InChIInChI=1S/C13H16N2O3S/c1-18-11-5-3-2-4-10(11)14-12(16)6-7-15-8-9-19-13(15)17/h2-5H,6-9H2,1H3,(H,14,16)
InChIKeyYBTDKBRQASJILK-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.19
Rot. Bonds5

About N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18093399) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18093399
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCSC1=O
InChIInChI=1S/C13H16N2O3S/c1-18-11-5-3-2-4-10(11)14-12(16)6-7-15-8-9-19-13(15)17/h2-5H,6-9H2,1H3,(H,14,16)
InChIKeyYBTDKBRQASJILK-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093501
[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 55442807
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 4728896
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
N-(2-methyl-3-nitrophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18097679
3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]thiophene-2-carboxylic acid
CID 43358194
N-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9243763
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N-(2-methyl-5-nitrophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46628946
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18093399) is N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is COc1ccccc1NC(=O)CCN1CCSC1=O.
What is the InChIKey of N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is YBTDKBRQASJILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-11-5-3-2-4-10(11)14-12(16)6-7-15-8-9-19-13(15)17/h2-5H,6-9H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 280.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18093399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).