N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C11H19N3O2S — CID 3150952

IUPACN-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCCCCNC(=O)CC1S/C(=N\C)N(C)C1=O
InChIInChI=1S/C11H19N3O2S/c1-4-5-6-13-9(15)7-8-10(16)14(3)11(12-2)17-8/h8H,4-7H2,1-3H3,(H,13,15)/b12-11-
InChIKeyMQQYBERRHRYHIP-QXMHVHEDSA-N
MW257.36 g/mol
LogP0.85
Rot. Bonds5

About N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 3150952) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID3150952
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCCCCNC(=O)CC1S/C(=N\C)N(C)C1=O
InChIInChI=1S/C11H19N3O2S/c1-4-5-6-13-9(15)7-8-10(16)14(3)11(12-2)17-8/h8H,4-7H2,1-3H3,(H,13,15)/b12-11-
InChIKeyMQQYBERRHRYHIP-QXMHVHEDSA-N
XLogP0.85
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.85
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 N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 3150952) is N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CCCCNC(=O)CC1S/C(=N\C)N(C)C1=O.
What is the InChIKey of N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is MQQYBERRHRYHIP-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-5-6-13-9(15)7-8-10(16)14(3)11(12-2)17-8/h8H,4-7H2,1-3H3,(H,13,15)/b12-11-.
What are the key properties of N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 257.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 3150952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).