N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C12H19N3O2S — CID 135591358

IUPACN-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)C/N=C1/NC(=O)C(CC(=O)NC2CC2)S1
InChIInChI=1S/C12H19N3O2S/c1-7(2)6-13-12-15-11(17)9(18-12)5-10(16)14-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,16)(H,13,15,17)
InChIKeyXOXOAMDXWUCJML-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.90
Rot. Bonds5

About N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135591358) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135591358
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)C/N=C1/NC(=O)C(CC(=O)NC2CC2)S1
InChIInChI=1S/C12H19N3O2S/c1-7(2)6-13-12-15-11(17)9(18-12)5-10(16)14-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,16)(H,13,15,17)
InChIKeyXOXOAMDXWUCJML-UHFFFAOYSA-N
XLogP0.90
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135591358) is N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is CC(C)C/N=C1/NC(=O)C(CC(=O)NC2CC2)S1.
What is the InChIKey of N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is XOXOAMDXWUCJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)6-13-12-15-11(17)9(18-12)5-10(16)14-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,16)(H,13,15,17).
What are the key properties of N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135591358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).