4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide

C13H18N2O5S — CID 171900157

IUPAC4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C13H18N2O5S/c14-12(17)8-11(16)13(18)9-3-1-4-10(7-9)15-5-2-6-21(15,19)20/h1,3-4,7,11,13,16,18H,2,5-6,8H2,(H2,14,17)
InChIKeyAPQZHSILDAVWNE-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.50
Rot. Bonds5

About 4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide

4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide (PubChem CID 171900157) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide
PubChem CID171900157
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C13H18N2O5S/c14-12(17)8-11(16)13(18)9-3-1-4-10(7-9)15-5-2-6-21(15,19)20/h1,3-4,7,11,13,16,18H,2,5-6,8H2,(H2,14,17)
InChIKeyAPQZHSILDAVWNE-UHFFFAOYSA-N
XLogP-0.50
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820859
4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanenitrile
CID 171901948
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171891200
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide
CID 146128516
3,4-dihydroxy-4-(3-piperidin-1-ylphenyl)butanoic acid
CID 171878501
(1-amino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46695655
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097
4-(3-formylphenyl)-3,4-dihydroxybutanamide
CID 171898794
4-[3-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898699
(2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55486036

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide?
The IUPAC name of 4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide (CID 171900157) is 4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide?
The canonical SMILES for 4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide?
The InChIKey is APQZHSILDAVWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c14-12(17)8-11(16)13(18)9-3-1-4-10(7-9)15-5-2-6-21(15,19)20/h1,3-4,7,11,13,16,18H,2,5-6,8H2,(H2,14,17).
What are the key properties of 4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide?
4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide has a molecular weight of 314.36 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide is sourced from PubChem (CID 171900157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).