N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide

C12H16N2O4S — CID 47049367

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O
InChIInChI=1S/C12H16N2O4S/c1-2-12(16)13-10-8-9(4-5-11(10)15)14-6-3-7-19(14,17)18/h4-5,8,15H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyWKISTHLDXPQOKX-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.28
Rot. Bonds3

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide (PubChem CID 47049367) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide
PubChem CID47049367
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O
InChIInChI=1S/C12H16N2O4S/c1-2-12(16)13-10-8-9(4-5-11(10)15)14-6-3-7-19(14,17)18/h4-5,8,15H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyWKISTHLDXPQOKX-UHFFFAOYSA-N
XLogP1.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(4-methylphenyl)acetamide
CID 47049370
N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide
CID 55815050
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-(3-methylphenyl)propanamide
CID 55932837
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55934242
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 55815176
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-iodobenzamide
CID 55815207
2,3-dichloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide
CID 55815013
2-amino-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 167892729
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-methoxy-4-methylbenzamide
CID 55815169
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638850
methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849
[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate
CID 7627693

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide (CID 47049367) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide is CCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide?
The InChIKey is WKISTHLDXPQOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-12(16)13-10-8-9(4-5-11(10)15)14-6-3-7-19(14,17)18/h4-5,8,15H,2-3,6-7H2,1H3,(H,13,16).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide has a molecular weight of 284.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide is sourced from PubChem (CID 47049367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).