methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate

C18H16ClNO3S — CID 3741721

IUPACmethyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(c2ccc(Cl)cc2)N1C(=O)c1ccccc1
InChIInChI=1S/C18H16ClNO3S/c1-23-18(22)15-11-24-17(13-7-9-14(19)10-8-13)20(15)16(21)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3
InChIKeyGNDPXWULPZLZEP-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.77
Rot. Bonds3

About methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate

methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 3741721) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
PubChem CID3741721
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC Namemethyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(c2ccc(Cl)cc2)N1C(=O)c1ccccc1
InChIInChI=1S/C18H16ClNO3S/c1-23-18(22)15-11-24-17(13-7-9-14(19)10-8-13)20(15)16(21)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3
InChIKeyGNDPXWULPZLZEP-UHFFFAOYSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate (CID 3741721) is methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSC(c2ccc(Cl)cc2)N1C(=O)c1ccccc1.
What is the InChIKey of methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is GNDPXWULPZLZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c1-23-18(22)15-11-24-17(13-7-9-14(19)10-8-13)20(15)16(21)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3.
What are the key properties of methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 361.85 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 3741721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).