5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole

C12H19N3S — CID 106260175

IUPAC5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)Cc1nn2c(C(C)(C)C)cnc2s1
InChIInChI=1S/C12H19N3S/c1-8(2)6-10-14-15-9(12(3,4)5)7-13-11(15)16-10/h7-8H,6H2,1-5H3
InChIKeyKTHUBFXSLBRSQH-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.29
Rot. Bonds2

About 5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole

5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 106260175) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID106260175
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)Cc1nn2c(C(C)(C)C)cnc2s1
InChIInChI=1S/C12H19N3S/c1-8(2)6-10-14-15-9(12(3,4)5)7-13-11(15)16-10/h7-8H,6H2,1-5H3
InChIKeyKTHUBFXSLBRSQH-UHFFFAOYSA-N
XLogP3.29
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 106260175) is 5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is CC(C)Cc1nn2c(C(C)(C)C)cnc2s1.
What is the InChIKey of 5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KTHUBFXSLBRSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8(2)6-10-14-15-9(12(3,4)5)7-13-11(15)16-10/h7-8H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 237.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 106260175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).