ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate

C13H15ClN2O2S — CID 167458111

IUPACethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate
SMILESCCOC(=O)/N=C1\SC(C)CN1c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O2S/c1-3-18-13(17)15-12-16(8-9(2)19-12)11-7-5-4-6-10(11)14/h4-7,9H,3,8H2,1-2H3/b15-12-
InChIKeyWYNXCFIVBKZZMS-QINSGFPZSA-N
MW298.80 g/mol
LogP3.79
Rot. Bonds2

About ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate

ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate (PubChem CID 167458111) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate
PubChem CID167458111
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Nameethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate
SMILESCCOC(=O)/N=C1\SC(C)CN1c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O2S/c1-3-18-13(17)15-12-16(8-9(2)19-12)11-7-5-4-6-10(11)14/h4-7,9H,3,8H2,1-2H3/b15-12-
InChIKeyWYNXCFIVBKZZMS-QINSGFPZSA-N
XLogP3.79
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate?
The IUPAC name of ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate (CID 167458111) is ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate.
What is the SMILES notation for ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate?
The canonical SMILES for ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate is CCOC(=O)/N=C1\SC(C)CN1c1ccccc1Cl.
What is the InChIKey of ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate?
The InChIKey is WYNXCFIVBKZZMS-QINSGFPZSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-3-18-13(17)15-12-16(8-9(2)19-12)11-7-5-4-6-10(11)14/h4-7,9H,3,8H2,1-2H3/b15-12-.
What are the key properties of ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate?
ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate has a molecular weight of 298.80 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methyl-1,3-thiazolidin-2-ylidene]carbamate is sourced from PubChem (CID 167458111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).