N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide

C14H20N2O2S — CID 119295663

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)C1CSCN1
InChIInChI=1S/C14H20N2O2S/c1-10-4-3-5-11(2)13(10)18-7-6-15-14(17)12-8-19-9-16-12/h3-5,12,16H,6-9H2,1-2H3,(H,15,17)
InChIKeyRXUMIXUAUXVDGK-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119295663) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119295663
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)C1CSCN1
InChIInChI=1S/C14H20N2O2S/c1-10-4-3-5-11(2)13(10)18-7-6-15-14(17)12-8-19-9-16-12/h3-5,12,16H,6-9H2,1-2H3,(H,15,17)
InChIKeyRXUMIXUAUXVDGK-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119301757
N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288940
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937188
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 113264034
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795340
N-[2-(cyclopropylmethoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103795956

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide (CID 119295663) is N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide is Cc1cccc(C)c1OCCNC(=O)C1CSCN1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is RXUMIXUAUXVDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-4-3-5-11(2)13(10)18-7-6-15-14(17)12-8-19-9-16-12/h3-5,12,16H,6-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119295663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).