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

C15H24N4OS — CID 133366228

IUPAC6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(Nc1nn2cc(C(C)(C)C)nc2s1)C1CCOCC1
InChIInChI=1S/C15H24N4OS/c1-10(11-5-7-20-8-6-11)16-13-18-19-9-12(15(2,3)4)17-14(19)21-13/h9-11H,5-8H2,1-4H3,(H,16,18)
InChIKeyIXZTXPRWYXHYPO-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.32
Rot. Bonds3

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

6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133366228) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133366228
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(Nc1nn2cc(C(C)(C)C)nc2s1)C1CCOCC1
InChIInChI=1S/C15H24N4OS/c1-10(11-5-7-20-8-6-11)16-13-18-19-9-12(15(2,3)4)17-14(19)21-13/h9-11H,5-8H2,1-4H3,(H,16,18)
InChIKeyIXZTXPRWYXHYPO-UHFFFAOYSA-N
XLogP3.32
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55544673
6-tert-butyl-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 97191737
6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55517482
6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 129330886
N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine
CID 133287378
6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133327141
6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 75414039
4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine
CID 103768449
6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47054436
6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 47054394
6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133362661
6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133271850

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133366228) is 6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(Nc1nn2cc(C(C)(C)C)nc2s1)C1CCOCC1.
What is the InChIKey of 6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is IXZTXPRWYXHYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-10(11-5-7-20-8-6-11)16-13-18-19-9-12(15(2,3)4)17-14(19)21-13/h9-11H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 308.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133366228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).