(4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C19H21N3O3S — CID 95233132

IUPAC(4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)c(=O)[nH]1
InChIInChI=1S/C19H21N3O3S/c1-11-4-6-14(8-12(11)2)21-18(24)16-9-26-10-22(16)19(25)15-7-5-13(3)20-17(15)23/h4-8,16H,9-10H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyXXUXDRMCSDMQIM-INIZCTEOSA-N
MW371.46 g/mol
LogP2.45
Rot. Bonds3

About (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95233132) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95233132
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)c(=O)[nH]1
InChIInChI=1S/C19H21N3O3S/c1-11-4-6-14(8-12(11)2)21-18(24)16-9-26-10-22(16)19(25)15-7-5-13(3)20-17(15)23/h4-8,16H,9-10H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyXXUXDRMCSDMQIM-INIZCTEOSA-N
XLogP2.45
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3398465
N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 24715030
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
N-(3,4-dimethylphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 72685669
5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119255264
(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95296252
(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95568340
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95233132) is (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)c(=O)[nH]1.
What is the InChIKey of (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XXUXDRMCSDMQIM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-11-4-6-14(8-12(11)2)21-18(24)16-9-26-10-22(16)19(25)15-7-5-13(3)20-17(15)23/h4-8,16H,9-10H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95233132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).