N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C10H16N2O3S — CID 115877562

IUPACN-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NC1(CO)CC1
InChIInChI=1S/C10H16N2O3S/c13-7-10(2-3-10)11-8(14)1-4-12-5-6-16-9(12)15/h13H,1-7H2,(H,11,14)
InChIKeyIZOOHEWXAUSMGF-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.19
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 115877562) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID115877562
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NC1(CO)CC1
InChIInChI=1S/C10H16N2O3S/c13-7-10(2-3-10)11-8(14)1-4-12-5-6-16-9(12)15/h13H,1-7H2,(H,11,14)
InChIKeyIZOOHEWXAUSMGF-UHFFFAOYSA-N
XLogP0.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.19
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

1-[[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449576
3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide
CID 60682333
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 79027316
N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 60681979
2-methyl-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]propanoic acid
CID 61263918
(3R)-3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid
CID 93310556
N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 43393224
N-[[4-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 107232666
N-[4-(hydroxymethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 64795223
2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid
CID 79468019
3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]thiophene-2-carboxylic acid
CID 43358194
5-hydroxy-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]benzoic acid
CID 61406074

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 115877562) is N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is IZOOHEWXAUSMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-7-10(2-3-10)11-8(14)1-4-12-5-6-16-9(12)15/h13H,1-7H2,(H,11,14).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 244.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 115877562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).