1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol

C11H16N2O3S — CID 43461409

IUPAC1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
SMILESNc1ccc(C(O)CN2CCCS2(=O)=O)cc1
InChIInChI=1S/C11H16N2O3S/c12-10-4-2-9(3-5-10)11(14)8-13-6-1-7-17(13,15)16/h2-5,11,14H,1,6-8,12H2
InChIKeyVMXNJYXEIIYSIZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.34
Rot. Bonds3

About 1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol

1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol (PubChem CID 43461409) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
PubChem CID43461409
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
SMILESNc1ccc(C(O)CN2CCCS2(=O)=O)cc1
InChIInChI=1S/C11H16N2O3S/c12-10-4-2-9(3-5-10)11(14)8-13-6-1-7-17(13,15)16/h2-5,11,14H,1,6-8,12H2
InChIKeyVMXNJYXEIIYSIZ-UHFFFAOYSA-N
XLogP0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
CID 112560169
1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
CID 115584238
4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide
CID 106172340
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
1-(4-aminophenyl)-2-cyclobutylethanol
CID 106695629
4-(1,1-dioxothiazinan-2-yl)aniline
CID 16642506
1-(4-aminophenyl)-2-cyclopentylethanol
CID 106695429
2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide
CID 82134036
1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63171581
2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 43461566

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol (CID 43461409) is 1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol is Nc1ccc(C(O)CN2CCCS2(=O)=O)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The InChIKey is VMXNJYXEIIYSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-10-4-2-9(3-5-10)11(14)8-13-6-1-7-17(13,15)16/h2-5,11,14H,1,6-8,12H2.
What are the key properties of 1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol has a molecular weight of 256.33 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol is sourced from PubChem (CID 43461409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).