N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide

C10H15N3O4S — CID 166506283

IUPACN'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide
SMILESCNC(=O)CC(=O)NCCCN1C(=O)CSC1=O
InChIInChI=1S/C10H15N3O4S/c1-11-7(14)5-8(15)12-3-2-4-13-9(16)6-18-10(13)17/h2-6H2,1H3,(H,11,14)(H,12,15)
InChIKeyBNRIPBHTVFRROM-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.68
Rot. Bonds6

About N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide

N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide (PubChem CID 166506283) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide.

Molecular Properties

Compound NameN'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide
PubChem CID166506283
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC NameN'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide
SMILESCNC(=O)CC(=O)NCCCN1C(=O)CSC1=O
InChIInChI=1S/C10H15N3O4S/c1-11-7(14)5-8(15)12-3-2-4-13-9(16)6-18-10(13)17/h2-6H2,1H3,(H,11,14)(H,12,15)
InChIKeyBNRIPBHTVFRROM-UHFFFAOYSA-N
XLogP-0.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide?
The IUPAC name of N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide (CID 166506283) is N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide.
What is the SMILES notation for N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide?
The canonical SMILES for N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide is CNC(=O)CC(=O)NCCCN1C(=O)CSC1=O.
What is the InChIKey of N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide?
The InChIKey is BNRIPBHTVFRROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-11-7(14)5-8(15)12-3-2-4-13-9(16)6-18-10(13)17/h2-6H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide?
N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide has a molecular weight of 273.31 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide is sourced from PubChem (CID 166506283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).