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

C17H18N2O2S — CID 173209989

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C1S/C(=N/C2CC3C=CC2C3)NC1=O
InChIInChI=1S/C17H18N2O2S/c1-21-14-5-3-2-4-12(14)15-16(20)19-17(22-15)18-13-9-10-6-7-11(13)8-10/h2-7,10-11,13,15H,8-9H2,1H3,(H,18,19,20)
InChIKeyGGCZWWXONQNVMR-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.92
Rot. Bonds3

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

2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 173209989) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID173209989
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C1S/C(=N/C2CC3C=CC2C3)NC1=O
InChIInChI=1S/C17H18N2O2S/c1-21-14-5-3-2-4-12(14)15-16(20)19-17(22-15)18-13-9-10-6-7-11(13)8-10/h2-7,10-11,13,15H,8-9H2,1H3,(H,18,19,20)
InChIKeyGGCZWWXONQNVMR-UHFFFAOYSA-N
XLogP2.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)-N-methylacetamide
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4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
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cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
(4R)-4-(2-methoxyphenyl)oxolan-2-one
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2-(2-methoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
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CID 144769798

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one (CID 173209989) is 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccccc1C1S/C(=N/C2CC3C=CC2C3)NC1=O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is GGCZWWXONQNVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-21-14-5-3-2-4-12(14)15-16(20)19-17(22-15)18-13-9-10-6-7-11(13)8-10/h2-7,10-11,13,15H,8-9H2,1H3,(H,18,19,20).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 314.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-(2-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 173209989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).