2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C13H23N3O2S — CID 3585489

IUPAC2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCCCC/N=C1\SC(CC(N)=O)C(=O)N1CCCC
InChIInChI=1S/C13H23N3O2S/c1-3-5-7-15-13-16(8-6-4-2)12(18)10(19-13)9-11(14)17/h10H,3-9H2,1-2H3,(H2,14,17)/b15-13-
InChIKeyBRASGUKKVKTIDC-SQFISAMPSA-N
MW285.41 g/mol
LogP1.76
Rot. Bonds8

About 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 3585489) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID3585489
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCCCC/N=C1\SC(CC(N)=O)C(=O)N1CCCC
InChIInChI=1S/C13H23N3O2S/c1-3-5-7-15-13-16(8-6-4-2)12(18)10(19-13)9-11(14)17/h10H,3-9H2,1-2H3,(H2,14,17)/b15-13-
InChIKeyBRASGUKKVKTIDC-SQFISAMPSA-N
XLogP1.76
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 3585489) is 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CCCC/N=C1\SC(CC(N)=O)C(=O)N1CCCC.
What is the InChIKey of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is BRASGUKKVKTIDC-SQFISAMPSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-5-7-15-13-16(8-6-4-2)12(18)10(19-13)9-11(14)17/h10H,3-9H2,1-2H3,(H2,14,17)/b15-13-.
What are the key properties of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 285.41 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 3585489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).