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

C6H10N2O3S — CID 131102107

IUPACN-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NO
InChIInChI=1S/C6H10N2O3S/c9-5(7-11)1-2-8-3-4-12-6(8)10/h11H,1-4H2,(H,7,9)
InChIKeyVOQHBKYYUNZQTJ-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.05
Rot. Bonds3

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

N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 131102107) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID131102107
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC NameN-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NO
InChIInChI=1S/C6H10N2O3S/c9-5(7-11)1-2-8-3-4-12-6(8)10/h11H,1-4H2,(H,7,9)
InChIKeyVOQHBKYYUNZQTJ-UHFFFAOYSA-N
XLogP0.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 131102107) is N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NO.
What is the InChIKey of N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is VOQHBKYYUNZQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c9-5(7-11)1-2-8-3-4-12-6(8)10/h11H,1-4H2,(H,7,9).
What are the key properties of N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 190.22 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 131102107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).