3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione

C11H10INS2 — CID 90343084

IUPAC3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione
SMILESCc1sc(=S)n(-c2ccccc2I)c1C
InChIInChI=1S/C11H10INS2/c1-7-8(2)15-11(14)13(7)10-6-4-3-5-9(10)12/h3-6H,1-2H3
InChIKeyZTGQGLPIPOODQU-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.49
Rot. Bonds1

About 3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione

3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione (PubChem CID 90343084) has the molecular formula C11H10INS2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione
PubChem CID90343084
Molecular FormulaC11H10INS2
Molecular Weight347.25 g/mol
Exact Mass346.93
IUPAC Name3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione
SMILESCc1sc(=S)n(-c2ccccc2I)c1C
InChIInChI=1S/C11H10INS2/c1-7-8(2)15-11(14)13(7)10-6-4-3-5-9(10)12/h3-6H,1-2H3
InChIKeyZTGQGLPIPOODQU-UHFFFAOYSA-N
XLogP4.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-iodophenyl)-4,5-dimethyl-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-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione?
The IUPAC name of 3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione (CID 90343084) is 3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione is Cc1sc(=S)n(-c2ccccc2I)c1C.
What is the InChIKey of 3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione?
The InChIKey is ZTGQGLPIPOODQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INS2/c1-7-8(2)15-11(14)13(7)10-6-4-3-5-9(10)12/h3-6H,1-2H3.
What are the key properties of 3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione?
3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione has a molecular weight of 347.25 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione is sourced from PubChem (CID 90343084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).