1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone

C12H23NOS — CID 170854510

IUPAC1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone
SMILESCCCCCCCC1SCCN1C(C)=O
InChIInChI=1S/C12H23NOS/c1-3-4-5-6-7-8-12-13(11(2)14)9-10-15-12/h12H,3-10H2,1-2H3
InChIKeyBJQOSJVWFZRLSG-UHFFFAOYSA-N
MW229.39 g/mol
LogP3.27
Rot. Bonds6

About 1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone

1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone (PubChem CID 170854510) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone
PubChem CID170854510
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone
SMILESCCCCCCCC1SCCN1C(C)=O
InChIInChI=1S/C12H23NOS/c1-3-4-5-6-7-8-12-13(11(2)14)9-10-15-12/h12H,3-10H2,1-2H3
InChIKeyBJQOSJVWFZRLSG-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone (CID 170854510) is 1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone is CCCCCCCC1SCCN1C(C)=O.
What is the InChIKey of 1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is BJQOSJVWFZRLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-3-4-5-6-7-8-12-13(11(2)14)9-10-15-12/h12H,3-10H2,1-2H3.
What are the key properties of 1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone?
1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 229.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-heptyl-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 170854510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).