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

C9H13N3S — CID 130822161

IUPAC2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(C(C)C)c(C)nc2s1
InChIInChI=1S/C9H13N3S/c1-5(2)8-6(3)10-9-12(8)11-7(4)13-9/h5H,1-4H3
InChIKeyPNHFHPJPBZNNBS-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.53
Rot. Bonds1

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

2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 130822161) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID130822161
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(C(C)C)c(C)nc2s1
InChIInChI=1S/C9H13N3S/c1-5(2)8-6(3)10-9-12(8)11-7(4)13-9/h5H,1-4H3
InChIKeyPNHFHPJPBZNNBS-UHFFFAOYSA-N
XLogP2.53
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 130822161) is 2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2c(C(C)C)c(C)nc2s1.
What is the InChIKey of 2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is PNHFHPJPBZNNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-5(2)8-6(3)10-9-12(8)11-7(4)13-9/h5H,1-4H3.
What are the key properties of 2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 195.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 130822161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).