(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide

C19H20N2O2S — CID 97310871

IUPAC(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H20N2O2S/c1-13-8-9-16(14(2)10-13)20-18(22)17-11-24-12-21(17)19(23)15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyBRIKPLZRESQMKP-QGZVFWFLSA-N
MW340.45 g/mol
LogP3.46
Rot. Bonds3

About (4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide

(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 97310871) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID97310871
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H20N2O2S/c1-13-8-9-16(14(2)10-13)20-18(22)17-11-24-12-21(17)19(23)15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyBRIKPLZRESQMKP-QGZVFWFLSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95326752
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652
(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95340180
(4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95298062
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 52716357
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
(4R)-3-(4-ethoxybenzoyl)-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97312987
(4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 55941234
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95317689

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide (CID 97310871) is (4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)c(C)c1.
What is the InChIKey of (4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BRIKPLZRESQMKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-8-9-16(14(2)10-13)20-18(22)17-11-24-12-21(17)19(23)15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97310871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).