2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one

C14H22N2OS — CID 135783326

IUPAC2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1(C)S/C(=N\C23CCC(CC2)C3)NC1=O
InChIInChI=1S/C14H22N2OS/c1-3-6-13(2)11(17)15-12(18-13)16-14-7-4-10(9-14)5-8-14/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyAHJNFAANFINZEN-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.10
Rot. Bonds3

About 2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one

2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one (PubChem CID 135783326) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
PubChem CID135783326
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1(C)S/C(=N\C23CCC(CC2)C3)NC1=O
InChIInChI=1S/C14H22N2OS/c1-3-6-13(2)11(17)15-12(18-13)16-14-7-4-10(9-14)5-8-14/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyAHJNFAANFINZEN-UHFFFAOYSA-N
XLogP3.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-[[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]methyl]-1,3-thiazolidin-4-one
CID 135989049
6-(1-adamantylimino)-5-thia-7-azaspiro[3.4]octan-8-one
CID 135509932
2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one
CID 135989704
5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one
CID 136607283
5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one
CID 143468510
5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 162103895
2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 135989482
(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
CID 42627656
(5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine
CID 176541730
7-tert-butyl-3-methyl-3-propyl-1,4,4a,5,6,7,8,8a-octahydroquinolin-2-one
CID 166783303
2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136503065
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(oxan-4-ylmethyl)-1,3-thiazolidin-4-one
CID 135989120

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one (CID 135783326) is 2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one is CCCC1(C)S/C(=N\C23CCC(CC2)C3)NC1=O.
What is the InChIKey of 2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is AHJNFAANFINZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-6-13(2)11(17)15-12(18-13)16-14-7-4-10(9-14)5-8-14/h10H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one?
2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 266.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135783326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).