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

C10H9NS2 — CID 519864

IUPAC3-methyl-4-phenyl-1,3-thiazole-2-thione
SMILESCn1c(-c2ccccc2)csc1=S
InChIInChI=1S/C10H9NS2/c1-11-9(7-13-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyYGZDFPNBMUHUON-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.48
Rot. Bonds1

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

3-methyl-4-phenyl-1,3-thiazole-2-thione (PubChem CID 519864) has the molecular formula C10H9NS2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-4-phenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-methyl-4-phenyl-1,3-thiazole-2-thione
PubChem CID519864
Molecular FormulaC10H9NS2
Molecular Weight207.32 g/mol
Exact Mass207.02
IUPAC Name3-methyl-4-phenyl-1,3-thiazole-2-thione
SMILESCn1c(-c2ccccc2)csc1=S
InChIInChI=1S/C10H9NS2/c1-11-9(7-13-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyYGZDFPNBMUHUON-UHFFFAOYSA-N
XLogP3.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-4-phenyl-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-methyl-4-phenyl-1,3-thiazole-2-thione?
The IUPAC name of 3-methyl-4-phenyl-1,3-thiazole-2-thione (CID 519864) is 3-methyl-4-phenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-methyl-4-phenyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-methyl-4-phenyl-1,3-thiazole-2-thione is Cn1c(-c2ccccc2)csc1=S.
What is the InChIKey of 3-methyl-4-phenyl-1,3-thiazole-2-thione?
The InChIKey is YGZDFPNBMUHUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS2/c1-11-9(7-13-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 3-methyl-4-phenyl-1,3-thiazole-2-thione?
3-methyl-4-phenyl-1,3-thiazole-2-thione has a molecular weight of 207.32 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 519864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).