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

C17H23ClN2S2 — CID 4852857

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine
SMILESClc1ccc(SCC/N=C2\SCCN2C2CCCCC2)cc1
InChIInChI=1S/C17H23ClN2S2/c18-14-6-8-16(9-7-14)21-12-10-19-17-20(11-13-22-17)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2/b19-17-
InChIKeyQEEAJPAEGUYKQX-ZPHPHTNESA-N
MW354.97 g/mol
LogP5.17
Rot. Bonds5

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

N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine (PubChem CID 4852857) has the molecular formula C17H23ClN2S2 and a molecular weight of 354.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine
PubChem CID4852857
Molecular FormulaC17H23ClN2S2
Molecular Weight354.97 g/mol
Exact Mass354.10
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine
SMILESClc1ccc(SCC/N=C2\SCCN2C2CCCCC2)cc1
InChIInChI=1S/C17H23ClN2S2/c18-14-6-8-16(9-7-14)21-12-10-19-17-20(11-13-22-17)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2/b19-17-
InChIKeyQEEAJPAEGUYKQX-ZPHPHTNESA-N
XLogP5.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.97
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine (CID 4852857) is N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine is Clc1ccc(SCC/N=C2\SCCN2C2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine?
The InChIKey is QEEAJPAEGUYKQX-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H23ClN2S2/c18-14-6-8-16(9-7-14)21-12-10-19-17-20(11-13-22-17)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2/b19-17-.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine?
N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine has a molecular weight of 354.97 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-3-cyclohexyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 4852857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).