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

C11H18N2O3S — CID 51114488

IUPACN-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCC1CCOC1
InChIInChI=1S/C11H18N2O3S/c14-10(12-7-9-2-5-16-8-9)1-3-13-4-6-17-11(13)15/h9H,1-8H2,(H,12,14)
InChIKeySEGIACVMVKLZAK-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.70
Rot. Bonds5

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

N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 51114488) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID51114488
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCC1CCOC1
InChIInChI=1S/C11H18N2O3S/c14-10(12-7-9-2-5-16-8-9)1-3-13-4-6-17-11(13)15/h9H,1-8H2,(H,12,14)
InChIKeySEGIACVMVKLZAK-UHFFFAOYSA-N
XLogP0.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66238465
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[[(3R)-oxolan-3-yl]methyl]butanamide
CID 95150140
N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 60681979
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 53499763
3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 125439672
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 103769998
1-[[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449576
N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 113268449
N-cyclopentyloxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 83202689
2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid
CID 79468019
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54885192

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 51114488) is N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is SEGIACVMVKLZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-10(12-7-9-2-5-16-8-9)1-3-13-4-6-17-11(13)15/h9H,1-8H2,(H,12,14).
What are the key properties of N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 258.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 51114488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).