2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid

C11H16N2O5S2 — CID 131888052

IUPAC2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C1\SCCN1CC(O)c1ccccc1
InChIInChI=1S/C11H14N2OS.H2O4S/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;1-5(2,3)4/h1-5,10,12,14H,6-8H2;(H2,1,2,3,4)/b12-11-;
InChIKeyPOGCRHQNBPIIHE-AFEZEDKISA-N
MW320.39 g/mol
LogP1.05
Rot. Bonds3

About 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid

2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid (PubChem CID 131888052) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid
PubChem CID131888052
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C1\SCCN1CC(O)c1ccccc1
InChIInChI=1S/C11H14N2OS.H2O4S/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;1-5(2,3)4/h1-5,10,12,14H,6-8H2;(H2,1,2,3,4)/b12-11-;
InChIKeyPOGCRHQNBPIIHE-AFEZEDKISA-N
XLogP1.05
TPSA121.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol thiocyanate
CID 86735207
[3-(2-hydroxy-2-phenylethyl)-2-imino-1,3-thiazolidin-4-yl] thiocyanate
CID 21397217
1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
CID 60886984
2-(2-imino-1-pyridinyl)-1-phenylethanol
CID 2801660
4-(2-hydroxy-2-phenylethyl)morpholin-3-one
CID 79469635
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716694
(1R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-phenylethanol
CID 31690686
1-(2-hydroxy-2-phenylethyl)imidazolidine-2-thione
CID 21482924
3-[(2R)-2-amino-2-phenylethyl]-1,3-thiazolidin-2-one;3-[(2S)-2-amino-2-phenylethyl]-1,3-thiazolidin-2-one
CID 76964990
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid?
The IUPAC name of 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid (CID 131888052) is 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid.
What is the SMILES notation for 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid?
The canonical SMILES for 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid is O=S(=O)(O)O.[H]/N=C1\SCCN1CC(O)c1ccccc1.
What is the InChIKey of 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid?
The InChIKey is POGCRHQNBPIIHE-AFEZEDKISA-N. The full InChI is InChI=1S/C11H14N2OS.H2O4S/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;1-5(2,3)4/h1-5,10,12,14H,6-8H2;(H2,1,2,3,4)/b12-11-;.
What are the key properties of 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid?
2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid has a molecular weight of 320.39 g/mol, XLogP of 1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;sulfuric acid is sourced from PubChem (CID 131888052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).