methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate

C10H12IN3O2S — CID 146411393

IUPACmethyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nn2c(I)c(C)nc2s1
InChIInChI=1S/C10H12IN3O2S/c1-5-6(11)14-9(12-5)17-7(13-14)10(2,3)8(15)16-4/h1-4H3
InChIKeyAJMYOSWCADGYTM-UHFFFAOYSA-N
MW365.20 g/mol
LogP2.15
Rot. Bonds2

About methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate

methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate (PubChem CID 146411393) has the molecular formula C10H12IN3O2S and a molecular weight of 365.20 g/mol. Its IUPAC name is methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate
PubChem CID146411393
Molecular FormulaC10H12IN3O2S
Molecular Weight365.20 g/mol
Exact Mass364.97
IUPAC Namemethyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nn2c(I)c(C)nc2s1
InChIInChI=1S/C10H12IN3O2S/c1-5-6(11)14-9(12-5)17-7(13-14)10(2,3)8(15)16-4/h1-4H3
InChIKeyAJMYOSWCADGYTM-UHFFFAOYSA-N
XLogP2.15
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate (CID 146411393) is methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1nn2c(I)c(C)nc2s1.
What is the InChIKey of methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate?
The InChIKey is AJMYOSWCADGYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2S/c1-5-6(11)14-9(12-5)17-7(13-14)10(2,3)8(15)16-4/h1-4H3.
What are the key properties of methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate?
methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate has a molecular weight of 365.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanoate is sourced from PubChem (CID 146411393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).