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

C13H17N3O3S — CID 43708166

IUPACN-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C2CSCN2)cc1
InChIInChI=1S/C13H17N3O3S/c1-19-6-12(17)15-9-2-4-10(5-3-9)16-13(18)11-7-20-8-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyFWDPHHYTYPGMIM-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.87
Rot. Bonds5

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

N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43708166) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43708166
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C2CSCN2)cc1
InChIInChI=1S/C13H17N3O3S/c1-19-6-12(17)15-9-2-4-10(5-3-9)16-13(18)11-7-20-8-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyFWDPHHYTYPGMIM-UHFFFAOYSA-N
XLogP0.87
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43713460
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43617089
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119298473
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119309091
N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697835
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43702511
N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119042537

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide (CID 43708166) is N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide is COCC(=O)Nc1ccc(NC(=O)C2CSCN2)cc1.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FWDPHHYTYPGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-19-6-12(17)15-9-2-4-10(5-3-9)16-13(18)11-7-20-8-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43708166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).