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

C9H9IN4S — CID 146411655

IUPAC2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile
SMILESCc1nc2sc(C(C)(C)C#N)nn2c1I
InChIInChI=1S/C9H9IN4S/c1-5-6(10)14-8(12-5)15-7(13-14)9(2,3)4-11/h1-3H3
InChIKeyVAJMMYSALWXJGG-UHFFFAOYSA-N
MW332.17 g/mol
LogP2.51
Rot. Bonds1

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

2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile (PubChem CID 146411655) has the molecular formula C9H9IN4S and a molecular weight of 332.17 g/mol. Its IUPAC name is 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile
PubChem CID146411655
Molecular FormulaC9H9IN4S
Molecular Weight332.17 g/mol
Exact Mass331.96
IUPAC Name2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile
SMILESCc1nc2sc(C(C)(C)C#N)nn2c1I
InChIInChI=1S/C9H9IN4S/c1-5-6(10)14-8(12-5)15-7(13-14)9(2,3)4-11/h1-3H3
InChIKeyVAJMMYSALWXJGG-UHFFFAOYSA-N
XLogP2.51
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 52.51
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 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile (CID 146411655) is 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile is Cc1nc2sc(C(C)(C)C#N)nn2c1I.
What is the InChIKey of 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile?
The InChIKey is VAJMMYSALWXJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4S/c1-5-6(10)14-8(12-5)15-7(13-14)9(2,3)4-11/h1-3H3.
What are the key properties of 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile?
2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile has a molecular weight of 332.17 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 146411655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).