propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate

C20H18BrCl2NO3S — CID 42729271

IUPACpropyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)c1cccc(Br)c1
InChIInChI=1S/C20H18BrCl2NO3S/c1-2-8-27-20(26)17-11-28-19(13-6-7-15(22)16(23)10-13)24(17)18(25)12-4-3-5-14(21)9-12/h3-7,9-10,17,19H,2,8,11H2,1H3
InChIKeyFNZXBLNKLRUHPQ-UHFFFAOYSA-N
MW503.25 g/mol
LogP5.97
Rot. Bonds5

About propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate

propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42729271) has the molecular formula C20H18BrCl2NO3S and a molecular weight of 503.25 g/mol. Its IUPAC name is propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42729271
Molecular FormulaC20H18BrCl2NO3S
Molecular Weight503.25 g/mol
Exact Mass500.96
IUPAC Namepropyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)c1cccc(Br)c1
InChIInChI=1S/C20H18BrCl2NO3S/c1-2-8-27-20(26)17-11-28-19(13-6-7-15(22)16(23)10-13)24(17)18(25)12-4-3-5-14(21)9-12/h3-7,9-10,17,19H,2,8,11H2,1H3
InChIKeyFNZXBLNKLRUHPQ-UHFFFAOYSA-N
XLogP5.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.25
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

propyl 3-(1,3-benzodioxole-5-carbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729273
propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate
CID 42729261
propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
CID 42729277
propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 3401669
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
propyl 2-(2-chlorophenyl)-3-(naphthalene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 5203660
methyl 2-(3-chlorophenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728012
2-methylpropyl 2-(3,4-dichlorophenyl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729397
propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42728427
butyl 3-(4-butylbenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42658113
methyl 2-(3,4-dichlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729205
butyl 2-(3-chlorophenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42658103

Frequently Asked Questions

What is the IUPAC name of propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate (CID 42729271) is propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate is CCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)c1cccc(Br)c1.
What is the InChIKey of propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is FNZXBLNKLRUHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrCl2NO3S/c1-2-8-27-20(26)17-11-28-19(13-6-7-15(22)16(23)10-13)24(17)18(25)12-4-3-5-14(21)9-12/h3-7,9-10,17,19H,2,8,11H2,1H3.
What are the key properties of propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate?
propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 503.25 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42729271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).