dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate

C14H15ClN2O5S — CID 1476484

IUPACdimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1SC[C@@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O5S/c1-21-12(18)10-7-23-11(13(19)22-2)17(10)14(20)16-9-5-3-8(15)4-6-9/h3-6,10-11H,7H2,1-2H3,(H,16,20)/t10-,11+/m0/s1
InChIKeyFYJXOMLVELCADQ-WDEREUQCSA-N
MW358.80 g/mol
LogP1.96
Rot. Bonds3

About dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate

dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate (PubChem CID 1476484) has the molecular formula C14H15ClN2O5S and a molecular weight of 358.80 g/mol. Its IUPAC name is dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
PubChem CID1476484
Molecular FormulaC14H15ClN2O5S
Molecular Weight358.80 g/mol
Exact Mass358.04
IUPAC Namedimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1SC[C@@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O5S/c1-21-12(18)10-7-23-11(13(19)22-2)17(10)14(20)16-9-5-3-8(15)4-6-9/h3-6,10-11H,7H2,1-2H3,(H,16,20)/t10-,11+/m0/s1
InChIKeyFYJXOMLVELCADQ-WDEREUQCSA-N
XLogP1.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
CID 3280147
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161
methyl (2S,4R)-2-(4-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 1477729
methyl (3S)-2-[2-(4-chloroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8758686
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
methyl 2-(2-chlorophenyl)-3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 42728786
methyl (2S,4R)-3-[2-(4-chlorophenoxy)acetyl]-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 93096262
dimethyl (2S,4S)-3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate
CID 40844387
ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate
CID 23343409
N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane
CID 176941389
ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate
CID 42728826
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate (CID 1476484) is dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate is COC(=O)[C@H]1SC[C@@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
The InChIKey is FYJXOMLVELCADQ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H15ClN2O5S/c1-21-12(18)10-7-23-11(13(19)22-2)17(10)14(20)16-9-5-3-8(15)4-6-9/h3-6,10-11H,7H2,1-2H3,(H,16,20)/t10-,11+/m0/s1.
What are the key properties of dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate has a molecular weight of 358.80 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate is sourced from PubChem (CID 1476484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).