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

C19H22N2O2S — CID 122331362

IUPACN-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(C2SCCN2C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H22N2O2S/c1-13-5-4-6-17(14(13)2)20-19(22)21-11-12-24-18(21)15-7-9-16(23-3)10-8-15/h4-10,18H,11-12H2,1-3H3,(H,20,22)
InChIKeyOHUKQPOUTALUJY-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.59
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122331362) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122331362
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(C2SCCN2C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H22N2O2S/c1-13-5-4-6-17(14(13)2)20-19(22)21-11-12-24-18(21)15-7-9-16(23-3)10-8-15/h4-10,18H,11-12H2,1-3H3,(H,20,22)
InChIKeyOHUKQPOUTALUJY-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418716
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803
2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122328954
N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 86264827
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331378
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
2-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4619225
2-(3,5-dimethoxyphenyl)-N-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 42781204

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 122331362) is N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccc(C2SCCN2C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is OHUKQPOUTALUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-5-4-6-17(14(13)2)20-19(22)21-11-12-24-18(21)15-7-9-16(23-3)10-8-15/h4-10,18H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122331362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).