(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide

C17H14Cl2N2O2S — CID 52716357

IUPAC(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C17H14Cl2N2O2S/c18-12-6-7-13(19)14(8-12)20-16(22)15-9-24-10-21(15)17(23)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,20,22)/t15-/m0/s1
InChIKeyDTSROABNOSZRDG-HNNXBMFYSA-N
MW381.28 g/mol
LogP4.15
Rot. Bonds3

About (4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 52716357) has the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID52716357
Molecular FormulaC17H14Cl2N2O2S
Molecular Weight381.28 g/mol
Exact Mass380.02
IUPAC Name(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C17H14Cl2N2O2S/c18-12-6-7-13(19)14(8-12)20-16(22)15-9-24-10-21(15)17(23)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,20,22)/t15-/m0/s1
InChIKeyDTSROABNOSZRDG-HNNXBMFYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide
CID 55941836
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 55942505
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
(4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 52716359
(4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 55941234
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide (CID 52716357) is (4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DTSROABNOSZRDG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S/c18-12-6-7-13(19)14(8-12)20-16(22)15-9-24-10-21(15)17(23)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,20,22)/t15-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 381.28 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 52716357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).