(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C17H18N2O2S2 — CID 95317689

IUPAC(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccsc2)c1C
InChIInChI=1S/C17H18N2O2S2/c1-11-4-3-5-14(12(11)2)18-16(20)15-9-23-10-19(15)17(21)13-6-7-22-8-13/h3-8,15H,9-10H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyKROITMGEYIFRQR-HNNXBMFYSA-N
MW346.48 g/mol
LogP3.52
Rot. Bonds3

About (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95317689) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95317689
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccsc2)c1C
InChIInChI=1S/C17H18N2O2S2/c1-11-4-3-5-14(12(11)2)18-16(20)15-9-23-10-19(15)17(21)13-6-7-22-8-13/h3-8,15H,9-10H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyKROITMGEYIFRQR-HNNXBMFYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-N-(2,3-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95316914
(4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95292323
(4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 125130071
(4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95233109
3-[(2,3-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200074
(4R)-3-(4-ethoxybenzoyl)-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97312987
(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
N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 122131672
(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95326752
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95317689) is (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccsc2)c1C.
What is the InChIKey of (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is KROITMGEYIFRQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-11-4-3-5-14(12(11)2)18-16(20)15-9-23-10-19(15)17(21)13-6-7-22-8-13/h3-8,15H,9-10H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95317689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).