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

C14H14Cl2N2O5S — CID 3280147

IUPACdimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CSC(C(=O)OC)N1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O5S/c1-22-12(19)10-6-24-11(13(20)23-2)18(10)14(21)17-7-3-4-8(15)9(16)5-7/h3-5,10-11H,6H2,1-2H3,(H,17,21)
InChIKeyPEHRYNCHMWUNMS-UHFFFAOYSA-N
MW393.25 g/mol
LogP2.61
Rot. Bonds3

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

dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate (PubChem CID 3280147) has the molecular formula C14H14Cl2N2O5S and a molecular weight of 393.25 g/mol. Its IUPAC name is dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
PubChem CID3280147
Molecular FormulaC14H14Cl2N2O5S
Molecular Weight393.25 g/mol
Exact Mass392.00
IUPAC Namedimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CSC(C(=O)OC)N1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O5S/c1-22-12(19)10-6-24-11(13(20)23-2)18(10)14(21)17-7-3-4-8(15)9(16)5-7/h3-5,10-11H,6H2,1-2H3,(H,17,21)
InChIKeyPEHRYNCHMWUNMS-UHFFFAOYSA-N
XLogP2.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
CID 1476484
3-[(3,4-dichlorophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63782084
dimethyl (2S,4S)-3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate
CID 40844387
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
methyl 2-(3,4-dichlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729205
methyl 2-(3-chlorophenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728012
methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536142
N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186665
(1S,8S,9R)-N-(3,4-dichlorophenyl)-8-methyl-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
CID 168862507
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate (CID 3280147) is dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate is COC(=O)C1CSC(C(=O)OC)N1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
The InChIKey is PEHRYNCHMWUNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O5S/c1-22-12(19)10-6-24-11(13(20)23-2)18(10)14(21)17-7-3-4-8(15)9(16)5-7/h3-5,10-11H,6H2,1-2H3,(H,17,21).
What are the key properties of dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate has a molecular weight of 393.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate is sourced from PubChem (CID 3280147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).