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

C18H19N3O2S — CID 95326752

IUPAC(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-12-5-6-15(13(2)8-12)20-17(22)16-10-24-11-21(16)18(23)14-4-3-7-19-9-14/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyHMKHFDMZKCTWJE-INIZCTEOSA-N
MW341.44 g/mol
LogP2.85
Rot. Bonds3

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

(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95326752) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95326752
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-12-5-6-15(13(2)8-12)20-17(22)16-10-24-11-21(16)18(23)14-4-3-7-19-9-14/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyHMKHFDMZKCTWJE-INIZCTEOSA-N
XLogP2.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
(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
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
(4S)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 50831331
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95317689
(4R)-N-(3-fluorophenyl)-3-(6-methylpyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95300193
N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 171152501
N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705466
(4R)-3-(4-ethoxybenzoyl)-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97312987

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95326752) is (4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccnc2)c(C)c1.
What is the InChIKey of (4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HMKHFDMZKCTWJE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-5-6-15(13(2)8-12)20-17(22)16-10-24-11-21(16)18(23)14-4-3-7-19-9-14/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95326752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).