methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate

C7H5IN2O2S — CID 75481843

IUPACmethyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2c(I)cnc2s1
InChIInChI=1S/C7H5IN2O2S/c1-12-6(11)4-3-10-5(8)2-9-7(10)13-4/h2-3H,1H3
InChIKeyVUFXVSOUPSXEJQ-UHFFFAOYSA-N
MW308.10 g/mol
LogP1.79
Rot. Bonds1

About methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate

methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 75481843) has the molecular formula C7H5IN2O2S and a molecular weight of 308.10 g/mol. Its IUPAC name is methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID75481843
Molecular FormulaC7H5IN2O2S
Molecular Weight308.10 g/mol
Exact Mass307.91
IUPAC Namemethyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2c(I)cnc2s1
InChIInChI=1S/C7H5IN2O2S/c1-12-6(11)4-3-10-5(8)2-9-7(10)13-4/h2-3H,1H3
InChIKeyVUFXVSOUPSXEJQ-UHFFFAOYSA-N
XLogP1.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 75481843) is methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate is COC(=O)c1cn2c(I)cnc2s1.
What is the InChIKey of methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is VUFXVSOUPSXEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O2S/c1-12-6(11)4-3-10-5(8)2-9-7(10)13-4/h2-3H,1H3.
What are the key properties of methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 308.10 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 75481843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).