3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide

C20H27Cl2N3O2S — CID 42749262

IUPAC3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)NCCN2CCCCC2)N1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H27Cl2N3O2S/c1-2-18-25(20(27)15-7-6-14(21)12-16(15)22)17(13-28-18)19(26)23-8-11-24-9-4-3-5-10-24/h6-7,12,17-18H,2-5,8-11,13H2,1H3,(H,23,26)
InChIKeyCXMOLJDKSRVJQQ-UHFFFAOYSA-N
MW444.43 g/mol
LogP3.89
Rot. Bonds6

About 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide

3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42749262) has the molecular formula C20H27Cl2N3O2S and a molecular weight of 444.43 g/mol. Its IUPAC name is 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42749262
Molecular FormulaC20H27Cl2N3O2S
Molecular Weight444.43 g/mol
Exact Mass443.12
IUPAC Name3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)NCCN2CCCCC2)N1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H27Cl2N3O2S/c1-2-18-25(20(27)15-7-6-14(21)12-16(15)22)17(13-28-18)19(26)23-8-11-24-9-4-3-5-10-24/h6-7,12,17-18H,2-5,8-11,13H2,1H3,(H,23,26)
InChIKeyCXMOLJDKSRVJQQ-UHFFFAOYSA-N
XLogP3.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

2-ethyl-N-(2-piperidin-1-ylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749320
3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 4542964
3-acetyl-2-(furan-3-yl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744965
butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748997
4-[2-(azepan-1-yl)ethylcarbamoylamino]-2-chloro-N-ethylbenzamide
CID 118775045
2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide
CID 42697337
2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744832
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
3-(2,4-dichlorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791942
(2S,4R)-2-(3,4-dimethoxyphenyl)-3-propanoyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 7271182
2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728688
2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3997234

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 42749262) is 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide is CCC1SCC(C(=O)NCCN2CCCCC2)N1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is CXMOLJDKSRVJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N3O2S/c1-2-18-25(20(27)15-7-6-14(21)12-16(15)22)17(13-28-18)19(26)23-8-11-24-9-4-3-5-10-24/h6-7,12,17-18H,2-5,8-11,13H2,1H3,(H,23,26).
What are the key properties of 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorobenzoyl)-2-ethyl-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42749262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).