6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C12H20N4OS — CID 47054436

IUPAC6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCCOCCNc1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C12H20N4OS/c1-5-17-7-6-13-10-15-16-8-9(12(2,3)4)14-11(16)18-10/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyBKJHIZPENQOURM-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.54
Rot. Bonds5

About 6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 47054436) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID47054436
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCCOCCNc1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C12H20N4OS/c1-5-17-7-6-13-10-15-16-8-9(12(2,3)4)14-11(16)18-10/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyBKJHIZPENQOURM-UHFFFAOYSA-N
XLogP2.54
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 47054436) is 6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CCOCCNc1nn2cc(C(C)(C)C)nc2s1.
What is the InChIKey of 6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is BKJHIZPENQOURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-5-17-7-6-13-10-15-16-8-9(12(2,3)4)14-11(16)18-10/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 268.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 47054436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).