3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide

C17H23ClN2O2S — CID 3281226

IUPAC3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)N(CC)CC)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2S/c1-4-15-20(16(21)12-7-9-13(18)10-8-12)14(11-23-15)17(22)19(5-2)6-3/h7-10,14-15H,4-6,11H2,1-3H3
InChIKeyZFDVTAHMRUPYER-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.50
Rot. Bonds5

About 3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide

3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 3281226) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide
PubChem CID3281226
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC Name3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)N(CC)CC)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2S/c1-4-15-20(16(21)12-7-9-13(18)10-8-12)14(11-23-15)17(22)19(5-2)6-3/h7-10,14-15H,4-6,11H2,1-3H3
InChIKeyZFDVTAHMRUPYER-UHFFFAOYSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792343
2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744121
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
3-(3,5-dibromobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107971445
butyl 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745476
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
3-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748228
3-(3,5-dimethylbenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792348
(3S,4S)-1-(4-chlorobenzoyl)-N,N-diethyl-4-phenylpyrrolidine-3-carboxamide
CID 93148612
3-(3,5-difluorobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792890
2-ethyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116824
ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42727802

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide (CID 3281226) is 3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide is CCC1SCC(C(=O)N(CC)CC)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZFDVTAHMRUPYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2S/c1-4-15-20(16(21)12-7-9-13(18)10-8-12)14(11-23-15)17(22)19(5-2)6-3/h7-10,14-15H,4-6,11H2,1-3H3.
What are the key properties of 3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide?
3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 354.90 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3281226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).