2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one

C14H24N2OS — CID 135399882

IUPAC2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CC1S/C(=N/C2CCCCCC2)NC1=O
InChIInChI=1S/C14H24N2OS/c1-10(2)9-12-13(17)16-14(18-12)15-11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyQRNNZXXPQVZBHO-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.34
Rot. Bonds3

About 2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one

2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 135399882) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID135399882
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CC1S/C(=N/C2CCCCCC2)NC1=O
InChIInChI=1S/C14H24N2OS/c1-10(2)9-12-13(17)16-14(18-12)15-11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyQRNNZXXPQVZBHO-UHFFFAOYSA-N
XLogP3.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 135399882) is 2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one is CC(C)CC1S/C(=N/C2CCCCCC2)NC1=O.
What is the InChIKey of 2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is QRNNZXXPQVZBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)9-12-13(17)16-14(18-12)15-11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 268.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylimino-5-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135399882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).