ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate

C13H15ClN2O3S — CID 167458216

IUPACethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate
SMILESCCOC(=O)/N=C1\SCC(CO)N1c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3S/c1-2-19-13(18)15-12-16(9(7-17)8-20-12)11-6-4-3-5-10(11)14/h3-6,9,17H,2,7-8H2,1H3/b15-12-
InChIKeyZSGSWYXQQRPRKR-QINSGFPZSA-N
MW314.79 g/mol
LogP2.77
Rot. Bonds3

About ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate

ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate (PubChem CID 167458216) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate
PubChem CID167458216
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Nameethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate
SMILESCCOC(=O)/N=C1\SCC(CO)N1c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3S/c1-2-19-13(18)15-12-16(9(7-17)8-20-12)11-6-4-3-5-10(11)14/h3-6,9,17H,2,7-8H2,1H3/b15-12-
InChIKeyZSGSWYXQQRPRKR-QINSGFPZSA-N
XLogP2.77
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate?
The IUPAC name of ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate (CID 167458216) is ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate.
What is the SMILES notation for ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate?
The canonical SMILES for ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate is CCOC(=O)/N=C1\SCC(CO)N1c1ccccc1Cl.
What is the InChIKey of ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate?
The InChIKey is ZSGSWYXQQRPRKR-QINSGFPZSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-2-19-13(18)15-12-16(9(7-17)8-20-12)11-6-4-3-5-10(11)14/h3-6,9,17H,2,7-8H2,1H3/b15-12-.
What are the key properties of ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate?
ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate has a molecular weight of 314.79 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-[3-(2-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]carbamate is sourced from PubChem (CID 167458216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).