5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole

C8H10IN3S — CID 146411382

IUPAC5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nc2sc(C(C)C)nn2c1I
InChIInChI=1S/C8H10IN3S/c1-4(2)7-11-12-6(9)5(3)10-8(12)13-7/h4H,1-3H3
InChIKeyVREMPEYIHZGQJQ-UHFFFAOYSA-N
MW307.16 g/mol
LogP2.83
Rot. Bonds1

About 5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole

5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 146411382) has the molecular formula C8H10IN3S and a molecular weight of 307.16 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID146411382
Molecular FormulaC8H10IN3S
Molecular Weight307.16 g/mol
Exact Mass306.96
IUPAC Name5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nc2sc(C(C)C)nn2c1I
InChIInChI=1S/C8H10IN3S/c1-4(2)7-11-12-6(9)5(3)10-8(12)13-7/h4H,1-3H3
InChIKeyVREMPEYIHZGQJQ-UHFFFAOYSA-N
XLogP2.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 146411382) is 5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nc2sc(C(C)C)nn2c1I.
What is the InChIKey of 5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VREMPEYIHZGQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3S/c1-4(2)7-11-12-6(9)5(3)10-8(12)13-7/h4H,1-3H3.
What are the key properties of 5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 307.16 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 146411382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).