4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione

C11H11NOS2 — CID 54161397

IUPAC4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1CCc1ccccc1
InChIInChI=1S/C11H11NOS2/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2
InChIKeyOOQVCRRYDGIYEJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.23
Rot. Bonds3

About 4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione

4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione (PubChem CID 54161397) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione
PubChem CID54161397
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1CCc1ccccc1
InChIInChI=1S/C11H11NOS2/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2
InChIKeyOOQVCRRYDGIYEJ-UHFFFAOYSA-N
XLogP3.23
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Brassinin derivative, 11
CID 11629967
N-Benzyl-rhodanine
CID 54296987
3-Phenethylthiazolidine-2-thione
CID 21639279
2-Phenyl-[1,3]thiazolo[3,2-a]pyridine-3-thione
CID 44291418
4-Benzyl-2,4-thiazolidine-3,5-dione
CID 54413313
4-Hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione
CID 90751817
4-Hydroxy-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione
CID 91275813
4-Hydroxy-5-methyl-3-(1-phenylethyl)-1,3-thiazole-2-thione
CID 123924511
3-Ethyl-5-phenylthiazolidine-2-thione
CID 129823165
(s)-3-(1-Phenylethyl)-1,3-thiazole-2(3h)-thione
CID 139599854
5-[Methyl(2-phenylethyl)amino]dithiole-3-thione
CID 13150958
3-(2-phenylethyl)-2H-1,3-thiazole
CID 21639286

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione (CID 54161397) is 4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione is Oc1csc(=S)n1CCc1ccccc1.
What is the InChIKey of 4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione?
The InChIKey is OOQVCRRYDGIYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2.
What are the key properties of 4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione?
4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione has a molecular weight of 237.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-phenylethyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 54161397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).