N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride

C8H16ClN3O2S — CID 120504928

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CN1CCSC1=O.Cl
InChIInChI=1S/C8H15N3O2S.ClH/c1-6(4-9)10-7(12)5-11-2-3-14-8(11)13;/h6H,2-5,9H2,1H3,(H,10,12);1H/t6-;/m0./s1
InChIKeyKZYBEAZPNBNWGA-RGMNGODLSA-N
MW253.75 g/mol
LogP0.04
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride (PubChem CID 120504928) has the molecular formula C8H16ClN3O2S and a molecular weight of 253.75 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
PubChem CID120504928
Molecular FormulaC8H16ClN3O2S
Molecular Weight253.75 g/mol
Exact Mass253.07
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CN1CCSC1=O.Cl
InChIInChI=1S/C8H15N3O2S.ClH/c1-6(4-9)10-7(12)5-11-2-3-14-8(11)13;/h6H,2-5,9H2,1H3,(H,10,12);1H/t6-;/m0./s1
InChIKeyKZYBEAZPNBNWGA-RGMNGODLSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride 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

2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
CID 35807274
(2S)-4-methyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
CID 119361545
3-(3-methyl-2-oxobutyl)-1,3-thiazolidin-2-one
CID 79395854
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 79027316
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18140277
(3R)-3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid
CID 93310556
N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119504103
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18090465
3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 58847393
(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367826
methyl 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 43410731
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9089962

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride (CID 120504928) is N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride is C[C@@H](CN)NC(=O)CN1CCSC1=O.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The InChIKey is KZYBEAZPNBNWGA-RGMNGODLSA-N. The full InChI is InChI=1S/C8H15N3O2S.ClH/c1-6(4-9)10-7(12)5-11-2-3-14-8(11)13;/h6H,2-5,9H2,1H3,(H,10,12);1H/t6-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride has a molecular weight of 253.75 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120504928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).