N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide

C13H17N3O2S — CID 25105396

IUPACN-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CC2SCNC2=O)cc1
InChIInChI=1S/C13H17N3O2S/c1-16(2)10-5-3-9(4-6-10)15-12(17)7-11-13(18)14-8-19-11/h3-6,11H,7-8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyCSZDBRHBXCONNG-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.27
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 25105396) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID25105396
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CC2SCNC2=O)cc1
InChIInChI=1S/C13H17N3O2S/c1-16(2)10-5-3-9(4-6-10)15-12(17)7-11-13(18)14-8-19-11/h3-6,11H,7-8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyCSZDBRHBXCONNG-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 25105335
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
N-[4-(dimethylamino)phenyl]-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1163948
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 2040113
2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 79851270
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012874

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 25105396) is N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide is CN(C)c1ccc(NC(=O)CC2SCNC2=O)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is CSZDBRHBXCONNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-16(2)10-5-3-9(4-6-10)15-12(17)7-11-13(18)14-8-19-11/h3-6,11H,7-8H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 25105396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).