3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione

C10H9NOS2 — CID 102410853

IUPAC3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione
SMILESCc1c(-c2ccccc2)sc(=S)n1O
InChIInChI=1S/C10H9NOS2/c1-7-9(14-10(13)11(7)12)8-5-3-2-4-6-8/h2-6,12H,1H3
InChIKeyXNPGLPSGKFSMDN-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.49
Rot. Bonds1

About 3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione

3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione (PubChem CID 102410853) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione
PubChem CID102410853
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione
SMILESCc1c(-c2ccccc2)sc(=S)n1O
InChIInChI=1S/C10H9NOS2/c1-7-9(14-10(13)11(7)12)8-5-3-2-4-6-8/h2-6,12H,1H3
InChIKeyXNPGLPSGKFSMDN-UHFFFAOYSA-N
XLogP3.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione?
The IUPAC name of 3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione (CID 102410853) is 3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione is Cc1c(-c2ccccc2)sc(=S)n1O.
What is the InChIKey of 3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione?
The InChIKey is XNPGLPSGKFSMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-7-9(14-10(13)11(7)12)8-5-3-2-4-6-8/h2-6,12H,1H3.
What are the key properties of 3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione?
3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione has a molecular weight of 223.32 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 102410853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).