N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide

C15H22N2O2S — CID 60938220

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C2CSCN2)c1
InChIInChI=1S/C15H22N2O2S/c1-11-6-12(2)8-13(7-11)19-5-4-17(3)15(18)14-9-20-10-16-14/h6-8,14,16H,4-5,9-10H2,1-3H3
InChIKeyDAOIEUWBYQEQEX-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.80
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 60938220) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID60938220
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C2CSCN2)c1
InChIInChI=1S/C15H22N2O2S/c1-11-6-12(2)8-13(7-11)19-5-4-17(3)15(18)14-9-20-10-16-14/h6-8,14,16H,4-5,9-10H2,1-3H3
InChIKeyDAOIEUWBYQEQEX-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide
CID 82897571
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119344769
N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119306128
N-[2-(dimethylamino)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 63695214
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81126354
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 97123264
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110742655
N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 115734496
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 60946282

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide (CID 60938220) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)C2CSCN2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is DAOIEUWBYQEQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-6-12(2)8-13(7-11)19-5-4-17(3)15(18)14-9-20-10-16-14/h6-8,14,16H,4-5,9-10H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60938220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).