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

C7H9N3O2S — CID 79194940

IUPACN-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESN#CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C7H9N3O2S/c8-5-9-6(11)1-2-10-3-4-13-7(10)12/h1-4H2,(H,9,11)
InChIKeyWIDWDEWRXJFZGR-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.14
Rot. Bonds3

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

N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 79194940) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID79194940
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC NameN-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESN#CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C7H9N3O2S/c8-5-9-6(11)1-2-10-3-4-13-7(10)12/h1-4H2,(H,9,11)
InChIKeyWIDWDEWRXJFZGR-UHFFFAOYSA-N
XLogP0.14
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 79194940) is N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is N#CNC(=O)CCN1CCSC1=O.
What is the InChIKey of N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is WIDWDEWRXJFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c8-5-9-6(11)1-2-10-3-4-13-7(10)12/h1-4H2,(H,9,11).
What are the key properties of N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 199.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 79194940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).