N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide

C13H18N2O3S — CID 43713460

IUPACN-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2CSCN2)cc1
InChIInChI=1S/C13H18N2O3S/c1-17-6-7-18-11-4-2-10(3-5-11)15-13(16)12-8-19-9-14-12/h2-5,12,14H,6-9H2,1H3,(H,15,16)
InChIKeyHJGBQWFYWLDTAW-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.31
Rot. Bonds6

About N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide

N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43713460) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43713460
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2CSCN2)cc1
InChIInChI=1S/C13H18N2O3S/c1-17-6-7-18-11-4-2-10(3-5-11)15-13(16)12-8-19-9-14-12/h2-5,12,14H,6-9H2,1H3,(H,15,16)
InChIKeyHJGBQWFYWLDTAW-UHFFFAOYSA-N
XLogP1.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 110793789
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427
N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide
CID 119322891
N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43617089
methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
CID 82906882
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide
CID 82908280
N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119298473
N-[3-(2-fluoroethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119337978
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide (CID 43713460) is N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide is COCCOc1ccc(NC(=O)C2CSCN2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is HJGBQWFYWLDTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-17-6-7-18-11-4-2-10(3-5-11)15-13(16)12-8-19-9-14-12/h2-5,12,14H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43713460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).