2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

C14H20N2OS — CID 136601977

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/C2CC3C=CC2C3)NC1=O
InChIInChI=1S/C14H20N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h4-5,8-11H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyNCDZVXLUKSUCED-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.58
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 136601977) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID136601977
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/C2CC3C=CC2C3)NC1=O
InChIInChI=1S/C14H20N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h4-5,8-11H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyNCDZVXLUKSUCED-UHFFFAOYSA-N
XLogP2.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 136601977) is 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1(C)S/C(=N/C2CC3C=CC2C3)NC1=O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is NCDZVXLUKSUCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h4-5,8-11H,6-7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 264.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 136601977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).