N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide

C7H12N2O2S — CID 126989227

IUPACN-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide
SMILESCNC(=O)CC(=O)N1CCSC1
InChIInChI=1S/C7H12N2O2S/c1-8-6(10)4-7(11)9-2-3-12-5-9/h2-5H2,1H3,(H,8,10)
InChIKeyXJSLLDMUOCDBFC-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.34
Rot. Bonds2

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

N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide (PubChem CID 126989227) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide
PubChem CID126989227
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC NameN-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide
SMILESCNC(=O)CC(=O)N1CCSC1
InChIInChI=1S/C7H12N2O2S/c1-8-6(10)4-7(11)9-2-3-12-5-9/h2-5H2,1H3,(H,8,10)
InChIKeyXJSLLDMUOCDBFC-UHFFFAOYSA-N
XLogP-0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide (CID 126989227) is N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide is CNC(=O)CC(=O)N1CCSC1.
What is the InChIKey of N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide?
The InChIKey is XJSLLDMUOCDBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-8-6(10)4-7(11)9-2-3-12-5-9/h2-5H2,1H3,(H,8,10).
What are the key properties of N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide?
N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide has a molecular weight of 188.25 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-3-(1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 126989227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).