3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole

C11H11I2NS — CID 90002390

IUPAC3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole
SMILESCC1=C(C)N(c2c(I)cccc2I)CS1
InChIInChI=1S/C11H11I2NS/c1-7-8(2)15-6-14(7)11-9(12)4-3-5-10(11)13/h3-5H,6H2,1-2H3
InChIKeyKDADFKSLMALTGI-UHFFFAOYSA-N
MW443.09 g/mol
LogP4.66
Rot. Bonds1

About 3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole

3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole (PubChem CID 90002390) has the molecular formula C11H11I2NS and a molecular weight of 443.09 g/mol. Its IUPAC name is 3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole
PubChem CID90002390
Molecular FormulaC11H11I2NS
Molecular Weight443.09 g/mol
Exact Mass442.87
IUPAC Name3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole
SMILESCC1=C(C)N(c2c(I)cccc2I)CS1
InChIInChI=1S/C11H11I2NS/c1-7-8(2)15-6-14(7)11-9(12)4-3-5-10(11)13/h3-5H,6H2,1-2H3
InChIKeyKDADFKSLMALTGI-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.09
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole 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-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole?
The IUPAC name of 3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole (CID 90002390) is 3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole.
What is the SMILES notation for 3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole?
The canonical SMILES for 3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole is CC1=C(C)N(c2c(I)cccc2I)CS1.
What is the InChIKey of 3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole?
The InChIKey is KDADFKSLMALTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11I2NS/c1-7-8(2)15-6-14(7)11-9(12)4-3-5-10(11)13/h3-5H,6H2,1-2H3.
What are the key properties of 3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole?
3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole has a molecular weight of 443.09 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diiodophenyl)-4,5-dimethyl-2H-1,3-thiazole is sourced from PubChem (CID 90002390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).