N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide

C12H13N3O3S — CID 16792770

IUPACN-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
SMILESNc1cccc(NC(=O)CCN2C(=O)CSC2=O)c1
InChIInChI=1S/C12H13N3O3S/c13-8-2-1-3-9(6-8)14-10(16)4-5-15-11(17)7-19-12(15)18/h1-3,6H,4-5,7,13H2,(H,14,16)
InChIKeyCRZFJJLAYGSXPA-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.29
Rot. Bonds4

About N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide

N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 16792770) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID16792770
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
SMILESNc1cccc(NC(=O)CCN2C(=O)CSC2=O)c1
InChIInChI=1S/C12H13N3O3S/c13-8-2-1-3-9(6-8)14-10(16)4-5-15-11(17)7-19-12(15)18/h1-3,6H,4-5,7,13H2,(H,14,16)
InChIKeyCRZFJJLAYGSXPA-UHFFFAOYSA-N
XLogP1.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
CID 16782886
3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 63573915
N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 63763927
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 4728896
ethyl 3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 34202240
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione
CID 43365706
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
N-(3-aminophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 63172233
N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
CID 29331567
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide (CID 16792770) is N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide is Nc1cccc(NC(=O)CCN2C(=O)CSC2=O)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is CRZFJJLAYGSXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c13-8-2-1-3-9(6-8)14-10(16)4-5-15-11(17)7-19-12(15)18/h1-3,6H,4-5,7,13H2,(H,14,16).
What are the key properties of N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 279.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 16792770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).