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

C13H13ClN2O2S — CID 167458232

IUPACethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate
SMILESC=C1CN(c2ccccc2Cl)/C(=N/C(=O)OCC)S1
InChIInChI=1S/C13H13ClN2O2S/c1-3-18-13(17)15-12-16(8-9(2)19-12)11-7-5-4-6-10(11)14/h4-7H,2-3,8H2,1H3/b15-12-
InChIKeyFCFRBXQABKEKQW-QINSGFPZSA-N
MW296.78 g/mol
LogP3.92
Rot. Bonds2

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

ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate (PubChem CID 167458232) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate
PubChem CID167458232
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Nameethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate
SMILESC=C1CN(c2ccccc2Cl)/C(=N/C(=O)OCC)S1
InChIInChI=1S/C13H13ClN2O2S/c1-3-18-13(17)15-12-16(8-9(2)19-12)11-7-5-4-6-10(11)14/h4-7H,2-3,8H2,1H3/b15-12-
InChIKeyFCFRBXQABKEKQW-QINSGFPZSA-N
XLogP3.92
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate?
The IUPAC name of ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate (CID 167458232) is ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate.
What is the SMILES notation for ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate?
The canonical SMILES for ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate is C=C1CN(c2ccccc2Cl)/C(=N/C(=O)OCC)S1.
What is the InChIKey of ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate?
The InChIKey is FCFRBXQABKEKQW-QINSGFPZSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-3-18-13(17)15-12-16(8-9(2)19-12)11-7-5-4-6-10(11)14/h4-7H,2-3,8H2,1H3/b15-12-.
What are the key properties of ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate?
ethyl (NZ)-N-[3-(2-chlorophenyl)-5-methylidene-1,3-thiazolidin-2-ylidene]carbamate has a molecular weight of 296.78 g/mol, XLogP of 3.92, 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-methylidene-1,3-thiazolidin-2-ylidene]carbamate is sourced from PubChem (CID 167458232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).