1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone

C11H20N2OS — CID 174844500

IUPAC1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone
SMILES[H]/N=C1\SC(C(C)=O)C(C)N1CCCCC
InChIInChI=1S/C11H20N2OS/c1-4-5-6-7-13-8(2)10(9(3)14)15-11(13)12/h8,10,12H,4-7H2,1-3H3/b12-11-
InChIKeyLVOQOZSOULVYEI-QXMHVHEDSA-N
MW228.36 g/mol
LogP2.51
Rot. Bonds5

About 1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone

1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone (PubChem CID 174844500) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone
PubChem CID174844500
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone
SMILES[H]/N=C1\SC(C(C)=O)C(C)N1CCCCC
InChIInChI=1S/C11H20N2OS/c1-4-5-6-7-13-8(2)10(9(3)14)15-11(13)12/h8,10,12H,4-7H2,1-3H3/b12-11-
InChIKeyLVOQOZSOULVYEI-QXMHVHEDSA-N
XLogP2.51
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone?
The IUPAC name of 1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone (CID 174844500) is 1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone.
What is the SMILES notation for 1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone?
The canonical SMILES for 1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone is [H]/N=C1\SC(C(C)=O)C(C)N1CCCCC.
What is the InChIKey of 1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone?
The InChIKey is LVOQOZSOULVYEI-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-5-6-7-13-8(2)10(9(3)14)15-11(13)12/h8,10,12H,4-7H2,1-3H3/b12-11-.
What are the key properties of 1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone?
1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone has a molecular weight of 228.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone is sourced from PubChem (CID 174844500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).