3-benzyl-4-hydroxy-1,3-thiazole-2-thione

C10H9NOS2 — CID 54296987

IUPAC3-benzyl-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1Cc1ccccc1
InChIInChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKeySBLXTHMCTSJDNW-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.03
Rot. Bonds2

About 3-benzyl-4-hydroxy-1,3-thiazole-2-thione

3-benzyl-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 54296987) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1,3-thiazole-2-thione
PubChem CID54296987
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name3-benzyl-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1Cc1ccccc1
InChIInChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKeySBLXTHMCTSJDNW-UHFFFAOYSA-N
XLogP3.03
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-benzyl-4-hydroxy-1,3-thiazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-benzyl-4-hydroxy-1,3-thiazole-2-thione (CID 54296987) is 3-benzyl-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-benzyl-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-benzyl-4-hydroxy-1,3-thiazole-2-thione is Oc1csc(=S)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is SBLXTHMCTSJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5,7,12H,6H2.
What are the key properties of 3-benzyl-4-hydroxy-1,3-thiazole-2-thione?
3-benzyl-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 223.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 54296987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).