HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-(3-Chloro-2-methylphenylimino)-3-(cyclobutylmethyl)-1,3-thiazolidine

HCID 18316232
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(Cl)cccc1N=C1SCCN1CC1CCC1
InChIKey
STYVMKCSPCMSFJ-UHFFFAOYSA-N
Molecular formula
C15H19ClN2S
Average molar mass
294.8 g/mol
Monoisotopic mass
294.0957475

Names & identifiers

Preferred name
2-(3-Chloro-2-methylphenylimino)-3-(cyclobutylmethyl)-1,3-thiazolidine
IUPAC
N-(3-chloro-2-methylphenyl)-3-(cyclobutylmethyl)-1,3-thiazolidin-2-imine

Names & synonyms

SCHEMBL7115266SCHEMBL7115269STYVMKCSPCMSFJ-UHFFFAOYSA-N2-(3-chloro-2-methylphenylimino)-3-(cyclobutylmethyl)-1,3-thiazolidine

Database identifiers

PubChem CID
18316232

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
40.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
343

Related reactions

2 records
New reaction record
HRID 276366 reaction equation
HRID 276366As productuspto-grants-2002_03
HRID 1142970 reaction equation
HRID 1142970As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes