N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C9H16N2O3S — CID 79027316

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESC[C@H](CO)NC(=O)CCN1CCSC1=O
InChIInChI=1S/C9H16N2O3S/c1-7(6-12)10-8(13)2-3-11-4-5-15-9(11)14/h7,12H,2-6H2,1H3,(H,10,13)/t7-/m1/s1
InChIKeyBNZCJOAEVMQKKE-SSDOTTSWSA-N
MW232.30 g/mol
LogP0.04
Rot. Bonds5

About N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 79027316) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID79027316
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESC[C@H](CO)NC(=O)CCN1CCSC1=O
InChIInChI=1S/C9H16N2O3S/c1-7(6-12)10-8(13)2-3-11-4-5-15-9(11)14/h7,12H,2-6H2,1H3,(H,10,13)/t7-/m1/s1
InChIKeyBNZCJOAEVMQKKE-SSDOTTSWSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid
CID 93310556
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N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093564
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CID 18093617
N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 113268449
propan-2-yl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 112723017
3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide
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N-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
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N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 120504928
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46485585
2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 79027316) is N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is C[C@H](CO)NC(=O)CCN1CCSC1=O.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is BNZCJOAEVMQKKE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-7(6-12)10-8(13)2-3-11-4-5-15-9(11)14/h7,12H,2-6H2,1H3,(H,10,13)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 232.30 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 79027316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).