N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine

C15H19ClN2S — CID 2462978

IUPACN-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine
SMILESClc1ccc(/N=C2\SCCN2C2CCCCC2)cc1
InChIInChI=1S/C15H19ClN2S/c16-12-6-8-13(9-7-12)17-15-18(10-11-19-15)14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2/b17-15-
InChIKeyFSSHBCIMLJPERY-ICFOKQHNSA-N
MW294.85 g/mol
LogP4.71
Rot. Bonds2

About N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine

N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine (PubChem CID 2462978) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine
PubChem CID2462978
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC NameN-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine
SMILESClc1ccc(/N=C2\SCCN2C2CCCCC2)cc1
InChIInChI=1S/C15H19ClN2S/c16-12-6-8-13(9-7-12)17-15-18(10-11-19-15)14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2/b17-15-
InChIKeyFSSHBCIMLJPERY-ICFOKQHNSA-N
XLogP4.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
CID 4846651
2-[(4-Chlorophenyl)azamethylene]-5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazolin e
CID 4478571
methyl N'-(4-chlorophenyl)-N,N-dimethylcarbamimidothioate
CID 2725551
N-(4-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-1,3-thiazolidin-2-imine
CID 4832915
methyl N'-(4-chlorophenyl)-N,N-dimethylcarbamimidothioate iodide
CID 45108851
5-Methyl-2-(N-ethyl-p-chlorophenylamino)-2-thiazoline
CID 620033
N-(4-chlorophenyl)-3-ethylsulfanyl-2-methyl-1,2,4-thiadiazol-5-imine
CID 13517336
N-(4-chlorophenyl)-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]thiadiazol-2-imine
CID 76312914
N-(4-chlorophenyl)-6,7-dihydro-5H-[1,2,4]thiadiazolo[3,2-b][1,3]thiazin-2-imine
CID 76316439
N-(4-chlorophenyl)-5,5-dimethyl-6H-[1,3]thiazolo[3,2-b][1,2,4]thiadiazol-2-imine
CID 76327358
N-(4-chloro-2-fluorophenyl)-3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine
CID 57311862
methyl N'-(4-chlorophenyl)-N-ethyl-N-phenylcarbamimidothioate
CID 2725593

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine (CID 2462978) is N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine is Clc1ccc(/N=C2\SCCN2C2CCCCC2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine?
The InChIKey is FSSHBCIMLJPERY-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H19ClN2S/c16-12-6-8-13(9-7-12)17-15-18(10-11-19-15)14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2/b17-15-.
What are the key properties of N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine?
N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine has a molecular weight of 294.85 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 2462978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).