ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate

C19H19ClN2O3S — CID 42728826

IUPACethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(c2ccccc2Cl)N1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19ClN2O3S/c1-2-25-18(23)16-12-26-17(14-10-6-7-11-15(14)20)22(16)19(24)21-13-8-4-3-5-9-13/h3-11,16-17H,2,12H2,1H3,(H,21,24)
InChIKeySNTJNFDVXZDYCT-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.55
Rot. Bonds4

About ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate

ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42728826) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42728826
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Nameethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(c2ccccc2Cl)N1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19ClN2O3S/c1-2-25-18(23)16-12-26-17(14-10-6-7-11-15(14)20)22(16)19(24)21-13-8-4-3-5-9-13/h3-11,16-17H,2,12H2,1H3,(H,21,24)
InChIKeySNTJNFDVXZDYCT-UHFFFAOYSA-N
XLogP4.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-(2-chlorophenyl)-3-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 4305902
ethyl 2-(2-chlorophenyl)-3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728809
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
methyl 2-(2-chlorophenyl)-3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 42728786
propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 7416813
propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
CID 7439910
2-methylpropyl 2-(2-chlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
CID 42744586
butyl 2-(2-chlorophenyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4552881
methyl 2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728767
3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42745243
butyl 2-(2-chlorophenyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxylate
CID 42744574
propyl 2-(2-chlorophenyl)-3-(naphthalene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 5203660

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate (CID 42728826) is ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSC(c2ccccc2Cl)N1C(=O)Nc1ccccc1.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is SNTJNFDVXZDYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-2-25-18(23)16-12-26-17(14-10-6-7-11-15(14)20)22(16)19(24)21-13-8-4-3-5-9-13/h3-11,16-17H,2,12H2,1H3,(H,21,24).
What are the key properties of ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate?
ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 390.89 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42728826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).